Chem
J-GLOBAL ID:200907074831774596   Nikkaji number:J446.152E

17a-Aza-D-homo-5α-androstan-3β-ol 4-[bis(2-chloroethyl)amino]phenylacetate

17a-アザ-D-ホモ-5α-アンドロスタン-3β-オール4-[ビス(2-クロロエチル)アミノ]フェニルアセタート
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: C31H46Cl2N2O2
Molecular formula furigana: C31-H46-CL2-N2-O2
Molecular weight: 549.620
InChI: InChI=1S/C31H46Cl2N2O2/c1-30-13-11-25(37-29(36)20-22-5-8-24(9-6-22)35(18-15-32)19-16-33)21-23(30)7-10-26-27(30)12-14-31(2)28(26)4-3-17-34-31/h5-6,8-9,23,25-28,34H,3-4,7,10-21H2,1-2H3/t23-,25-,26+,27-,28-,30-,31-/m0/s1
InChI key: CPICDLRHHBTQBZ-ABKLYSGHSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@H]1CCCN2
Systematic name  (4):
  • 3β-[[4-[ビス(2-クロロエチル)アミノ]フェニル]アセトキシ]-17a-アザ-D-ホモ-5α-アンドロスタン
  • 17a-アザ-D-ホモ-5α-アンドロスタン-3β-オール4-[ビス(2-クロロエチル)アミノ]フェニルアセタート
  • (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-ジメチル-オクタデカヒドロナフト[2,1-f]キノリン-8-イル 2-{4-[ビス(2-クロロエチル)アミノ]フェニル}アセタート
  • (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-octadecahydronaphtho[2,1-f]quinolin-8-yl 2-{4-[bis(2-chloroethyl)amino]phenyl}acetate
Other name (1):
  • 17a-Aza-D-homo-5α-androstan-3β-ol 4-[bis(2-chloroethyl)amino]phenylacetate
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