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Substance Name: 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester
RN: 93398-55-1
InChIKey: LHNZBVWWOZMRLW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H32-Cl-N3-O5

Molecular Weight

  • 477.986
 
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Names and Synonyms

Name of Substance

  • 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester

Synonym

  • N-(2-Chloroethyl)-N-nitrosocarbamoyl-L-alanine-estradiol-17-ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93398-55-1

Other Registry Number

  • 105802-02-6

System Generated Number

  • 0093398551

Structure Descriptors

InChI

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

InChIKey

LHNZBVWWOZMRLW-UHFFFAOYSA-N

Smiles

c1cc2c(CC[C@@H]3[C@@H]2CC[C@@]2([C@@H](CC[C@@H]32)OC(=O)[C@@H](C)NC(=O)N(N=O)CCCl)C)cc1O