Cas no 55643-30-6 (1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol)

1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol structure
55643-30-6 structure
Product Name:1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol
CAS No:55643-30-6
MF:C19H27NO
MW:285.423785448074
CID:944248
PubChem ID:4736
Update Time:2025-04-19

1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol
    • 2-(3,3-Dimethylallyl)cyclazocine
    • Fortalgesic
    • Pentazocine civ
    • L001017
    • CHEBI:182080
    • Fortral
    • 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
    • NS00083668
    • DTXSID30859346
    • (pentazocine)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
    • (.+/-.)-Pentazocine
    • CHEMBL100116
    • 3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
    • VOKSWYLNZZRQPF-UHFFFAOYSA-N
    • Sosegon
    • NIH 7958
    • Talwan
    • NIH-7958
    • 7488-49-5
    • (+)-Pentazocine
    • 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
    • PDSP2_000663
    • (Pentazocine) 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2 ,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
    • 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-2,6-methano-3-benzazocin-8-ol
    • Algopent (free base)
    • NS00087561
    • Sosigon
    • dl-2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan
    • NSC-107430
    • Pentagin
    • II-C-2
    • PENTAZOCINE (-)
    • Fortalin
    • Liticon
    • 1,13-dimethyl-10-(3-methyl-2-butenyl)-(1R,9R,13R)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol(Pentazocine)
    • 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan
    • 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol
    • Pentazocaine
    • PDSP1_000673
    • NSC107430
    • SCHEMBL2493
    • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-
    • 39188-58-4
    • 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(15S)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol(Pentazocine)
    • KF-1820
    • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2R,6R,11R)-rel-
    • 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan
    • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
    • Talwin
    • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol (pentazocine)
    • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol; lactate
    • 55643-30-6
    • EINECS 259-735-2
    • BDBM50032403
    • PENTAZOCINE (+)
    • (Pentazocine) 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
    • Soseton
    • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2.alpha.,6.alpha.,11R*)-
    • (-)-PENTAZOCINE
    • WIN 20228
    • DB-048905
    • DB-238119
    • 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
    • InChI Key: VOKSWYLNZZRQPF-UHFFFAOYSA-N
    • SMILES: OC1C=CC2=C(C=1)C1(C)CCN(C/C=C(\C)/C)C(C2)C1C

Computed Properties

  • Exact Mass: 285.209264485g/mol
  • Monoisotopic Mass: 285.209264485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 414
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 23.5?2

1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol Related Literature

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