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Substance Name: 17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate
RN: 110312-92-0
InChIKey: OGAQVUGJYFZLEO-KXOMOVGCSA-N

Molecular Formula

  • C33-H46-Cl2-N2-O3

Molecular Weight

  • 589.643
 
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Names and Synonyms

Name of Substance

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

Synonym

  • Aabcap

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110312-92-0

System Generated Number

  • 0110312920

Structure Descriptors

InChI

1S/C33H46Cl2N2O3/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/h4-8,26-30H,9-21H2,1-3H3,(H,36,38)/t26-,27?,28?,29?,30-,32-,33-/m0/s1

InChIKey

OGAQVUGJYFZLEO-KXOMOVGCSA-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=C2C1)NC(=O)C)C)C