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has asserted biological effect has biological effect inferred from relation to entire parent compound has ChEBI ID has PubChem ID has biological effect is result of modification is coingestant with has functional parent has inferred biological effect has metabolite has a name has part has potency has street name has trade name involves process is administered via is derivative of is functional parent of is a metabolite of metabolized by structural isomer of substrate of trade name of uses as a substituent AH_7563 https://pubchem.ncbi.nlm.nih.gov/compound/16455045 https://www.caymanchem.com/product/19335/helping-make-research-possible AH-7921 is 7.5 times as potent as morphine https://pubchem.ncbi.nlm.nih.gov/compound/54448940 AH_7959 Consider m,p-dichlorobenzamide https://pubchem.ncbi.nlm.nih.gov/compound/54269004 AH_8507 https://pubchem.ncbi.nlm.nih.gov/substance/387130371 AH_8529 https://pubchem.ncbi.nlm.nih.gov/substance/387108493 AH_8532 https://pubchem.ncbi.nlm.nih.gov/substance/387183843 AH_8533 https://pubchem.ncbi.nlm.nih.gov/compound/SNC-121-Dihydrochloride SNC_121 https://pubchem.ncbi.nlm.nih.gov/compound/6916035 SNC_162 https://pubchem.ncbi.nlm.nih.gov/compound/123924 SNC_80 https://pubchem.ncbi.nlm.nih.gov/compound/119029 SNC_86 Alternative name: N-Desmethyl U-47700 https://pubchem.ncbi.nlm.nih.gov/compound/129390993 https://www.caymanchem.com/product/21663/u-47109 U_47109 Wikipedia: https://en.wikipedia.org/wiki/Bromadoline https://pubchem.ncbi.nlm.nih.gov/compound/95560661 U_47931E Alternative name: Deschloro U-47700 https://pubchem.ncbi.nlm.nih.gov/compound/13544026 U_48520 https://en.wikipedia.org/wiki/U-77891 https://pubchem.ncbi.nlm.nih.gov/compound/117071705 U_77891 alkenylation of 4 position on piperazine alkylation of 2 position on piperazine alkylation of 4 position on piperazine alkylation of 5 position on piperazine alkylation of primary amine on aminocyclohexane alkylation of secondary amide 2 2 ethyl group ethylation of primary amine on aminocyclohexane ethylation of secondary amide https://pubchem.ncbi.nlm.nih.gov/compound/137700166 isopropyl U-47700 isopropyl U_47700 1 methylation of 2 position on piperazine methylation of 4 position on piperazine methylation of 5 position on piperazine methylation of primary amine on aminocyclohexane methylation of secondary amide methylenedioxy group modification of 2 position on piperazine modification of 4 position on piperazine modification of 5 position on piperazine modification of aminocyclohexane modification of benzamide modifiction of piperazine modification of primary amine on aminocyclohexane modification of secondary amide propenyl group propenylation of 4 position on piperazine propyl group propylation of 4 position on piperazine 2 2,5-dimethyl-4-prop-2-enylpiperazine 2 2,5-dimethyl-4-propylpiperazine 1 2 3,4-dibromobenzamide 2 3,4-dichlorobenzamide https://cdn.caymanchem.com/cdn/insert/22753.pdf https://pubchem.ncbi.nlm.nih.gov/compound/139598237 3,4-methylenedioxy U-47700 3,4_methylenedioxy U_47700 1 1 1 7.5 times morphine https://pubchem.ncbi.nlm.nih.gov/compound/119404046 N,N-didesmethyl AH 7921 N,N_didesmethyl AH_7921 AH_7921 Wikipedia: https://en.wikipedia.org/wiki/AH-7921 https://pubchem.ncbi.nlm.nih.gov/compound/187760 CYP enzyme ChEBI ID pgp efflux pump PubChem ID https://en.wikipedia.org/wiki/U-47700 https://pubchem.ncbi.nlm.nih.gov/compound/13544016 U_47700 23349712 https://pubchem.ncbi.nlm.nih.gov/compound/129392412 https://www.caymanchem.com/product/21098/u-49900 U_49900 acetyl fentanyl is 10-15 times stronger than morphine acetyl group Wikipedia: https://en.wikipedia.org/wiki/Acetylfentanyl Wikipedia: https://en.wikipedia.org/wiki/Acrylfentanyl acrylfentanyl addition of allyl group on position 3 of piperidine ring addition of benzyl group on alpha position of ethyl chain of phenethyl addition of chlorine to meta and para positions on phenyl ring of anilinophenyl addition of methylformate at 4 position on piperdine addition of dimethyl ether at 4 position on piperdine addition of ester on position 4 of piperidine ring addition of ethylcyclopropane 2 addition of fluorine to meta and para positions on phenyl ring of anilinophenyl cyclization of alkyl chain of propanamide at alpha' position to furanyl addition of iso-methyl group modification of propanamide at alpha' position by addition of methyl group addition of methoxy group at beta' position addition of methoxy group to ortho position on phenyl ring of anilinophenyl addition of methyl group to ortho position on phenyl ring of anilinophenyl addition of phenyl group at 4 position on piperidine addition of phenyl at beta' position addition of quinuclidin-3-yl at 4 position on piperidine akathisia addition of alkoxy to para position on phenyl ring of anilinophenyl alkylation of 2 position on piperidine alkylation of 3 position on piperdine alkylation of 5 position on piperidine allyl group 2 Derivative of isonipecotic acid, a GABA A partial agonist. Other name is the more descriptive 4-piperidine-carboxylic acid. The H off the piperidine is substituted with an anilinophenethyl The H iso to the N is substitued with a phenyl. The carboxylic acid is converted to a methyl ester. NEEDS MORE CURATION anilinophenyl with meta and para substitutions anilinophenyl with meta substitution anilinophenyl with ortho substitution anilinophenyl with para substitution animal study benzamide Wikipedia: https://en.wikipedia.org/wiki/Benzodioxolefentanyl https://en.wikipedia.org/wiki/Benzoylfentanyl benzoylfentanyl https://en.wikipedia.org/wiki/Benzylfentanyl biological effect Wikipedia: https://en.wikipedia.org/wiki/Brifentanil Honestly I have no idea yet how to curate this molecule. The phenethyl component is shortened to a methyl, methylated, and the phenyl ring is halogenated yielding the substitution 4'-bromophenylethyl The carboxamide and anilinophenyl parts are fused to a benzimidazol-2-one. The piperidine portion is unscathed. NEEDS MORE CURATION NEEDS MORE CURATION butyl-2-en-amide Wikipedia: https://en.wikipedia.org/wiki/Butyrfentanyl change in length of alkyl chain of propanamide change in length of ethyl chain For each chemical entity: 1. Chemical Class 2. Xrefs 3. Clinical Effects 4. Metabolism (metabolites and processes it undergoes) 5. PGP pump substrates (if known) 1. What are other molecules with this similar structure? 2. What unique moieties or functional groups does this structure possess? 3. What symptoms are seen in overdose? 4. Are there active metabolites? 5. Is the molecule a substrate for the PGP pump? 6. Are there any treatments beyond the 0.4 mg IV naloxone reported to be necessary to treat overdose? 7. What NSOs have effects beyond opioids? chemical entity chemical process addition of chlorine to para position on phenyl ring of anilinophenyl cyclization of alkyl chain cyclopentane carboxamide cyclopropane carboxamide decrease in length of alkyl chain of propanamide decrease in ventilation dehydration of alcohol desaturation of alkyl chain desaturation of alkyl chain from propanamide to propenamide desaturation of alkyl chain on propanamide dimethyl ether duration of action decrease in lengthy of akyl chain from two carbons to one carbon increase in length of alkyl chain from two carbons to three carbons euphoria fluorination of 2 position on piperidine fluorination of 3 position on piperidine addition of fluorine to meta position on phenyl ring of anilinophenyl addition of fluorine to ortho position on phenyl ring of anilinophenyl addition of fluorine to para position on phenyl ring of anilinophenyl furan carboxamide I don't know what the important of this chenmical is yet. 8/4/2020. NEEDS MORE CURATION furanyl 4-methylene glorb halogenation of 2 position on piperidine halogenation of 3 position on piperidine addition of halogen to meta- and para- positions on phenyl ring of anilinophenyl addition of halogen to meta position on phenyl ring of anilinophenyl addition of halogen to ortho position on phenyl ring of anilinophenyl addition of halogen to para position on phenyl ring of anilinophenyl fluorination of 2' position on phenyl ring of phenethyl hydroxy group addition of hydroxy group to para position on phenyl ring of anilinophenyl hyperalgesia hypertension increase in length of alkyl chain of propanamide increase in length of alkyl chain of propanamide from three carbons to five carbons increase in length of alkyl chain of propanamide from three carbons to four carbons and desaturation of carbon bonds increase in ventilation This set is the output of the DL Query "has part some benzamide". I created it because it was not clear to me how to replicate this query in SPARQL. I intend for this class to be used to populate the list of subtances used in the frontend. Inferred Benzamide Derviatives isopropyl group itching increase in length of ethyl chain maoi inhibition Checklist for each chemical: - trade name - uses SLC infflux (not for [7/14/2020], couldn't find enough data) - what functional groups - is subject to PGP efflux - has metabolite - experiences compared to - has reported effects - has reported route of administration - has reported congestants - references to other databases - hepatic metabolism Citation for PGP efflux inhibition: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5725546/ methylation of alpha position on ethyl chain methoxy group I could find no experiences online, Erowide or otherwise. Wikipedia: https://en.wikipedia.org/wiki/Methoxyacetylfentanyl methoxylation of C3 hydroxyl addition of methoxy group to para position on phenyl ring of anilinophenyl methyl acetamide ether methyl group methylation of beta position on ethyl chain of phenethyl methylation of 2 position on piperidine methylation of 5 position on piperidine miosis Antagonizes alfentanil at low doses? France, CP; Winger, G; Medzihradsky, F; Seggel, MR; Rice, KC; Woods, JH (Aug 1991). "Mirfentanil: pharmacological profile of a novel fentanyl derivative with opioid and nonopioid effects". Journal of Pharmacology and Experimental Therapeutics. 258 (2): 502–10. PMID 1650830. modification of ethyl chain modification of meta position on phenyl ring of anilinophenyl modification of propanamide at alpha' position modification of propanamide at beta' position modification of 2 position on piperidine modification of 3 position on piperidine modification of 4 position on piperidine modification of 5 position on piperidine modification of C3 modification of C6 modification of anilinophenyl modification of propanamide modification of meta- and para- positions on phenyl ring modification of ortho position on phenyl ring of anilinophenyl modification of para position on phenyl ring modification of phenanthrene modification of phenethyl modification of piperidine modification on iso position mu opioid receptor myoclonus nausea I could find no experiences online, Erowid or otherwise. Wikipedia: https://en.wikipedia.org/wiki/Ocfentanil I could find no experiences online, Erowid or otherwise. Wikipedia: https://en.wikipedia.org/wiki/Ohmefentanyl onset of action I could find no experiences online, Erowid or otherwise. Wikipedia: https://en.wikipedia.org/wiki/Orthofluorofentanyl oxidation of C6 hydroxyl to ketone p-methoxyanilinophenyl para-fluorofuranylfentanyl pharmacokinetic property phenanthrene phenethyl with modification to alpha and beta positions phenethyl with modification to alpha position phenethyl with modification to alpha position and phenyl ring phenethyl with modification to beta position phenethyl with modification to beta position and phenyl ring phenylacetic acid physical effect of drug action pink heroin piperidine with ring opened at 2 position propenamide protein entity Seems pushing it to say that a pyrrole is a type of aniline reduction of double bond between C7 and C8 substitution of phenyl part of anilinophenyl with pyrrole decrease in length of alkyl chain of propanamide from three carbons to two carbons replacement of phenyl group replacement of phenyl group with 4-ethyl-5-oxo-tetrazole replacement of phenyl group with oxatetrazole replacement of phenyl group with substituted oxatetrazole cyclization of alkyl chain of propanamide at alpha' position to phenyl route of administration seizures decrease in length of ethyl chain solute carrier protein somnolence source of information replacement of phenyl group with indole substance name replacement of phenethyl with propanoate substituted benzamide substitution of phenyl part of anilinophenyl with diazine substitution of anilinophenyl with pyrazine replacement of phenyl group with thenyl group replacement of phenyl group with furanyl replacement of phenyl group with thiophene addition of isopropyl group to ortho position on phenyl ring of anilinophenyl tachycardia passing over this for now. On 8/15 I am unsure how to classify this. It's somewhere in between the phenethyl part of fentanyl and a phenethylamine. tetrahydrofuran carboxamide tetramethylcyclopropane carboxamide thenyl group There is no information on Wikipedia or Erowid about this substance. unknown knowledge α-methyl-β-hydroxyfentanyl α-methylacetylfentanyl α-methylbutyrfentanyl α-methylthiofentanyl There are no Wikipedia or Erowid articles on this chemical. β-hydroxy-4-methylfentanyl https://en.wikipedia.org/wiki/Betahydroxyfentanyl β-hydroxyfentanyl https://en.wikipedia.org/wiki/Betahydroxyfentanyl β-methylfentanyl 0.02 times fentanyl 0.2 times fentanyl 1,3-benzodioxole carboxamide 1-methyl-4-ethyl-oxatetrazole 10-15 times morhpine 10-15 times fentanyl https://pubchem.ncbi.nlm.nih.gov/compound/133866 codeine 2 Related Article: https://onlinelibrary.wiley.com/doi/full/10.1002/dta.2264?casa_token=WvoREBzqMusAAAAA%3Awdv4sHDYlTg_70CSHmfBfOw1IQYsmK1wlqVdU_q8JcHn4EZ8iIrd0NsXRV6Ot2qVn41Ca4v85sOOCtI Wikipedia: https://en.wikipedia.org/wiki/2,2%27-Difluorofentanyl 2,2'-difluorofentanyl I could not find any Erowid entries on this, or any other direct user experiences. Wikipedia: https://en.wikipedia.org/wiki/Phenaridine 2,5-dimethylfentanyl 2 2-fluoro-5-methylpiperidine 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (EDDP) alfentanil No information on Wikipedia or Erowid 3,4-dichloro-4'-methoxyfentanyl PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/133866 Wikipedia: https://en.wikipedia.org/wiki/3-Allylfentanyl 3-allylfentanyl 3-furanylfentanyl is 0.2 times as potent as fentanyl Wikipedia: https://en.wikipedia.org/wiki/3-Methylbutyrfentanyl 3-methylbutyrfentanyl Wikipedia: https://en.wikipedia.org/wiki/3-Methylfentanyl 3-methylfentanyl 3-methylfentanyl is 10-15 times stronger than fentanyl https://link.springer.com/article/10.1208/s12248-017-0070-z Wikipedia: https://en.wikipedia.org/wiki/3-Methylthiofentanyl 3-methylthiofentanyl Wikipedia: https://en.wikipedia.org/wiki/3-Phenylpropanoylfentanyl 3-phenylpropanoylfentanyl Is designed to target only inflamed tissue. The creators argue that halogenation increases the selectivity for inflamed tissue. Halford B (2017). "An opioid minus major side effects". Chemical & Engineering News. 95 (10): 8. PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/621847 Wikipedia: https://en.wikipedia.org/wiki/NFEPP 3-fluorofentanyl I could find no experiences online, Erowide or otherwise. Wikipedia: https://en.wikipedia.org/wiki/Furanylfentanyl 3-furanylfentanyl Nothing on Wikipedia, Erowid, or Psychonaut 3-methylfuranylfentanyl 2 4,5-epoxymorphinan ring 2 4-fluorofentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Methoxybutyrfentanyl 4-methoxybutyrfentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Methylphenethylacetylfentanyl 4-methylphenethylacetylfentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Phenylfentanyl 4-phenylfentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Chloroisobutyrylfentanyl 4-chloroisobutyrylfentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Fluorobutyrfentanyl 4-fluorobutyrfentanyl Wikipedia: https://en.wikipedia.org/wiki/4-Fluoroisobutyrfentanyl 4-fluoroisobutyrfentanyl 400-600 times morphine https://www.ebi.ac.uk/chebi/searchId.do?chebiId=61092 identified for 3-methylfentanyl cyclization of alkyl chain of propanamide at alpha' position to benzodioxole increase in length of alkyl chain of propanamide from three carbons to four carbons cyclization of alkyl chain of propanamide at alpha' position to cyclopentyl cyclization of alkyl chain of propanamide at alpha' position to cyclopropyl addition of methyl group at 4 position on piperidine ring addition of methylethanoate at 4 position on piperidine ring cyclization of alkyl chain of propanamide at alpha' position to tetramethylcyclopropyl phenylpropanamide beta-hydroxylation of 2-phenethyl cyclization of alkyl chain of propanamide at alpha' position cyclization of alkyl chain on propanamide at alpha' position to tetrahydrofuranyl fluorination of 4' position on phenyl ring of phenethyl fluorination of beta' position on ethyl chain of phenthyl halogenation of 2' position on phenyl ring of phenethyl halogenation of 4' position on phenyl ring of phenethyl halogenation of beta position on ethyl chain of phenthyl hydroxylation of 4' position on phenyl ring of phenethyl hydroxylation of beta position on ethyl chain increase in length of alkyl chain of propanamide from three carbons to four carbons and desaturation of carbon bond between alpha' and beta' carbons 2 m,p-dichloroanilinophenyl 2 NEEDS FURTHER ANNOTATION OF HALOGENATION Need to annotate m,p substitution. Seems a bit odd, although possibly intelligent, that this is lumped under propanamide. 2 m,p-difluoroanilinophenyl methoxylation of 4' position on phenyl ring of phenethyl methylation of 3 position on piperidine methylation of 4' position on phenyl ring of phenethyl modification of 2' position on phenyl ring of phenethyl modification of 4' position on phenyl ring of phenethyl modification of alpha position on ethyl chain modification of beta position on ethyl chain opening of ring at 2 position ortho-isopropylfuranylfentanyl ortho-methoxyfuranylfentanyl ortho-methylfuranylfentanyl para-chlorofuranylfentanyl para-hydroxy‐butyrylfentanyl phenethyl with modification to 2' position phenethyl with modification to 4' position pyrazine (1,4-diazine) pyrimidine (1,3-diazine) single desaturation of alkyl chain between alpha' and beta' carbons replacement of phenyl group with 5-oxo-4,5-dihydro-1H-tetrazol-1-yl α-methylfentanyl 400-600 times morphine