Chem
J-GLOBAL ID：200907039472045885   Nikkaji number：J2.618.605F

(-)-9-epi-Pentazocine

(-)-9-epi-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-NIKGAXFTSA-N
SMILES： C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Systematic name  (3)：
  • (2R,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)-2α,6α-メタノ-3-ベンゾアゾシン-8-オール
  • (1R,9R,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
  • (1R,9R,13S)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
Other name (3)：
  • (2R,11S)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2α,6α-methano-3-benzoazocine-8-ol
  • (-)-9-epi-Pentazocine
  • (-)-9-epi-ペンタゾシン
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