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Substance Name: 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate
RN: 110320-70-2
InChIKey: BLLAWDFADRSHFN-IYYPERTOSA-N

Molecular Formula

  • C33-H48-Cl2-N2-O3

Molecular Weight

  • 591.659
 
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Names and Synonyms

Name of Substance

  • 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate

Synonyms

  • (3beta,5alpha,17beta)-17-(Acetylamino)androstan-3-yl 4-(bis(2-chloroethyl)amino)benzeneacetate
  • Aaceap

Systematic Name

  • Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (3beta,5alpha,17beta)-17-(acetylamino)androstan-3-yl ester

Registry Numbers

CAS Registry Number

  • 110320-70-2

System Generated Number

  • 0110320702

Structure Descriptors

InChI

1S/C33H48Cl2N2O3/c1-22(38)36-30-11-10-28-27-9-6-24-21-26(12-14-32(24,2)29(27)13-15-33(28,30)3)40-31(39)20-23-4-7-25(8-5-23)37(18-16-34)19-17-35/h4-5,7-8,24,26-30H,6,9-21H2,1-3H3,(H,36,38)/t24-,26-,27?,28?,29?,30-,32-,33-/m0/s1

InChIKey

BLLAWDFADRSHFN-IYYPERTOSA-N

Smiles

c1(ccc(cc1)N(CCCl)CCCl)CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC[C@@H]2C1)NC(=O)C)C)C