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Substance Name: L-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, (17-beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester
RN: 89083-85-2
InChIKey: VCHIMDQFARCAGF-RRSQKSOMSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H32-Cl-N3-O5

Molecular Weight

  • 477.9858
 
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Names and Synonyms

Synonym

  • N-(2-Chloroethyl)-N-nitrosocarbamoyl-L-alanine-estradiol-3-ester

Systematic Name

  • L-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, (17-beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester

Registry Numbers

CAS Registry Number

  • 89083-85-2

System Generated Number

  • 0089083852

Structure Descriptors

InChI

1S/C24H32ClN3O5/c1-14(26-23(31)28(27-32)12-11-25)22(30)33-16-4-6-17-15(13-16)3-5-19-18(17)9-10-24(2)20(19)7-8-21(24)29/h4,6,13-14,18-21,29H,3,5,7-12H2,1-2H3,(H,26,31)/t14-,18+,19+,20-,21-,24-/m0/s1

InChIKey

VCHIMDQFARCAGF-RRSQKSOMSA-N

Smiles

C[C@H](NC(=O)N(CCCl)N=O)C(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1