Chem
J-GLOBAL ID：200907092678644830   Nikkaji number：J468.185A

3α,17β-OH-Vecuronium

3α,17β-OH-ベクロニウム
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： C30H53N[N+]O2
Molecular formula furigana： C30-H53-N2-O2
Molecular weight： 473.765
InChI： InChI=1S/C30H53N2O2/c1-29-13-12-23-22(24(29)19-26(28(29)34)32(3)16-8-5-9-17-32)11-10-21-18-27(33)25(20-30(21,23)2)31-14-6-4-7-15-31/h21-28,33-34H,4-20H2,1-3H3/q+1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChI key： AJLKWPOGMPDMRQ-GUGJMVMRSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N3CCCCC3)[C@@H]1C[C@@H]([C@@H]2O)[N+]1(C)CCCCC1
Systematic name  (4)：
  • 1-(3α,17β-ジヒドロキシ-2β-ピペリジノ-5α-アンドロスタン-16β-イル)-1-メチルピペリジニウム
  • 1-(3α,17β-ジヒドロキシ-2β-(1-ピペリジニル)-5α-アンドロスタン-16β-イル)-1-メチルピペリジニウム
  • 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-ジヒドロキシ-9a,11a-ジメチル-8-(ピペリジン-1-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2-イル]-1-メチルピペリジン-1-イウム
  • 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium
Other name (5)：
  • 3α,17β-OH-ベクロニウム
  • 3α,17β-OH-Vecuronium
  • 3,17-デスアセチルベクロニウム
  • 1-(3α,17β-Dihydroxy-2β-piperidino-5α-androstan-16β-yl)-1-methylpiperidinium
  • 1-(3α,17β-Dihydroxy-2β-(1-piperidinyl)-5α-androstane-16β-yl)-1-methylpiperidinium
Thsaurus map：
Thesaurus Map

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