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Substance Name: 17a-Aza-D-homoandrostan-17-one, 3-((4-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-beta,5-alpha)-
RN: 157757-68-1
InChIKey: VDHCKJMFVSJWLQ-JNQHNEDKSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C30-H42-Cl2-N2-O3

Molecular Weight

  • 549.579
 
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Names and Synonyms

Synonym

  • 3-((3-(Bis(2-chloroethyl)amino)benzoyl)oxy)-, (3beta,5alpha)-17a-aza-D-homoandrostan-17-one

Systematic Name

  • 17a-Aza-D-homoandrostan-17-one, 3-((4-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-beta,5-alpha)-

Registry Numbers

CAS Registry Number

  • 157757-68-1

System Generated Number

  • 0157757681

Structure Descriptors

InChI

1S/C30H42Cl2N2O3/c1-29-13-11-23(37-28(36)20-3-6-22(7-4-20)34(17-15-31)18-16-32)19-21(29)5-8-24-25(29)12-14-30(2)26(24)9-10-27(35)33-30/h3-4,6-7,21,23-26H,5,8-19H2,1-2H3,(H,33,35)/t21-,23-,24+,25-,26-,29-,30-/m0/s1

InChIKey

VDHCKJMFVSJWLQ-JNQHNEDKSA-N

Smiles

c1(ccc(cc1)C(O[C@H]1CC[C@@]2([C@@H]3[C@@H](CC[C@@H]2C1)[C@H]1[C@@](CC3)(NC(CC1)=O)C)C)=O)N(CCCl)CCCl