Chem
J-GLOBAL ID：200907031662132635   Nikkaji number：J356.522J

(+)-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+/m1/s1
InChI key： VOKSWYLNZZRQPF-CCKFTAQKSA-N
SMILES： C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
Systematic name  (6)：
  • [2S,6S,11S,(+)]-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
  • (11S)-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)-2β,6β-メタノ-3-ベンゾアゾシン-8-オール
  • (2S,11S)-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)-2β,6β-メタノ-3-ベンゾアゾシン-8-オール
  • (2S,11S)-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)-2β,6β-メタノ-3-ベンゾアゾシン-8-オール
  • (1S,9S,13S)-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 (10)：
  • (+)-Pentazocine
  • (+)-ペンタゾシン
  • [2S,6S,11S,(+)]-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine-8-ol
  • (11S)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2β,6β-methano-3-benzazocine-8-ol
  • (11S)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2β,6β-methano-3-benzazocin-8-ol
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CAS registry number： 7361-76-4
Application (2)：
antipyretic analgesic ,  narcotic antagonist
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