Chem
J-GLOBAL ID：200907018112004684   Nikkaji number：J419.448I

(-)-Pentazocine

(-)-ペンタゾシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H27NO
Molecular formula furigana： C19-H27-N-O
Molecular weight： 285.431
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
SMILES： C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Systematic name  (6)：
  • [2R,6R,11R,(-)]-1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2,6-メタノ-3-ベンゾアゾシン-8-オール
  • (11R)-1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2α,6α-メタノ-3-ベンゾアゾシン-8-オール
  • (2R,11R)-1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2α,6α-メタノ-3-ベンゾアゾシン-8-オール
  • (2R,11R)-6,11-ジメチル-1,2,3,4,5,6-ヘキサヒドロ-3-(3-メチル-2-ブテニル)-2α,6α-メタノ-3-ベンゾアゾシン-8-オール
  • (1R,9R,13R)-1,13-ジメチル-10-(3-メチルブタ-2-エン-1-イル)-10-アザトリシクロ[7.3.1.02,7]トリデカ-2,4,6-トリエン-4-オール
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Other name (6)：
  • (-)-ペンタゾシン
  • (-)-Pentazocine
  • [2R,6R,11R,(-)]-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine-8-ol
  • (11R)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2α,6α-methano-3-benzazocine-8-ol
  • (2R,11R)-6,11-Dimethyl-1,2,3,4,5,6-hexahydro-3-(3-methyl-2-butenyl)-2α,6α-methano-3-benzoazocine-8-ol
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CAS registry number： 7488-49-5
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