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Substance Name: Testosterone mustard
RN: 24141-90-0
InChIKey: XMEZZNCIZQQXCV-AXOMYGEFSA-N

Molecular Formula

  • C31-H41-Cl2-N-O3

Molecular Weight

  • 546.575
 
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Names and Synonyms

Name of Substance

  • Testosterone mustard

Synonyms

  • (3beta)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androst-5-en-17-one
  • Dehydroepiandrosterone mustard
  • NSC-121210

Systematic Names

  • Androst-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-
  • Androst-5-en-17-one, 3beta-hydroxy-, (p-(bis(2-chloroethyl)amino)phenyl)acetate (8CI)

Registry Numbers

CAS Registry Number

  • 24141-90-0

System Generated Number

  • 0024141900

Structure Descriptors

InChI

1S/C31H41Cl2NO3/c1-30-13-11-24(37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33)20-22(30)5-8-25-26-9-10-28(35)31(26,2)14-12-27(25)30/h3-7,24-27H,8-20H2,1-2H3/t24-,25-,26-,27-,30-,31-/m0/s1

InChIKey

XMEZZNCIZQQXCV-AXOMYGEFSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CCC([C@@]4(C)CC[C@H]3[C@@]2(C1)C)=O)OC(=O)Cc1ccc(cc1)N(CCCl)CCCl