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Exploring Pentazocine. To explore a different substance…

Name

Pentazocine

IUPAC name

(2R,6R,11R)-6,11-Dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

ID 4376 · Formula C₁₉H₂₇NO · Molecular weight 285.424

InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1

InChI Key VOKSWYLNZZRQPF-GDIGMMSISA-N This stereoisomer Any stereoisomer

SMILES CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C

ChemSpider 390041
PubChem 441278
Wikidata Q415793
Wikipedia Pentazocine

Ellis, CR; Kruhlak, NL; Kim, MT; Hawkins, EG; Stavitskaya, L. Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking PLOS ONE, 24 May 2018, 13 (5), e0197734. 5.5 MB. https://doi.org/10.1371/journal.pone.0197734 #Pentazocine

Devereaux, AL; Mercer, SL; Cunningham, CW. DARK classics in chemical neuroscience: Morphine ACS Chem. Neurosci., 17 Oct 2018, 9 (10), 2395-2407. 3.0 MB. https://doi.org/10.1021/acschemneuro.8b00150 #11

Johnson, H. Quantitative stereo-structure activity relationships I. Opiate receptor binding In QuaSAR: Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens. NIDA Research Monograph 22; Barnett, G; Trsic, M; Willette, RE, Eds., U.S. Department of Health and Human Services, National Institute of Health, U.S. Government Printing Office, Washington, DC, 1 Jan 1978; Vol. 22, pp 146–158. 685 kB.

5-BPDi

TH-PVP

4-DHBF-PCP

3-MeO-PBCHP

4-MeO-PBCHP

3,4-Pr-PipVP · bk-IPP

7 Dec 2019 · · Isomer Design