Chem
J-GLOBAL ID：201007083176258113   Nikkaji number：J2.790.712A

3β-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17β-amine

3β-クロロ-N,N-ビス(2-クロロエチル)アンドロスタ-5-エン-17β-アミン
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： C23H36Cl3N
Molecular formula furigana： C23-H36-CL3-N
Molecular weight： 432.900
InChI： InChI=1S/C23H36Cl3N/c1-22-9-7-17(26)15-16(22)3-4-18-19-5-6-21(27(13-11-24)14-12-25)23(19,2)10-8-20(18)22/h3,17-21H,4-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1
InChI key： WSFHWKVFVZZVNI-FQJIPJFPSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@]34C)[C@@H]1CC[C@@H]2N(CCCl)CCCl
Systematic name  (3)：
  • 3β-クロロ-N,N-ビス(2-クロロエチル)アンドロスタ-5-エン-17β-アミン
  • (1S,3aS,3bR,7S,9aR,9bS,11aS)-7-クロロ-N,N-ビス(2-クロロエチル)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-アミン
  • (1S,3aS,3bR,7S,9aR,9bS,11aS)-7-chloro-N,N-bis(2-chloroethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-amine
Other name (2)：
  • 3β-Chloro-N,N-bis(2-chloroethyl)androsta-5-ene-17β-amine
  • 3β-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17β-amine
KEGG COMPOUND： C14914
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