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Substance Name: Urea, N-(2-chloroethyl)-N'-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)-N-nitroso-
RN: 164120-30-3
InChIKey: ILVJEJQFZSRDHX-MOQOIKLESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H50-Cl-N3-O3

Molecular Weight

  • 536.196
 
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Names and Synonyms

Synonyms

  • 7-beta-(2-Chloroethyl-N-nitroso-N-carbonylamino)cholesterol
  • N-(2-Chloroethyl)-N'-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)-N-nitrosourea

Systematic Name

  • Urea, N-(2-chloroethyl)-N'-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)-N-nitroso-

Registry Numbers

CAS Registry Number

  • 164120-30-3

System Generated Number

  • 0164120303

Structure Descriptors

InChI

1S/C30H50ClN3O3/c1-19(2)7-6-8-20(3)23-9-10-24-27-25(12-14-30(23,24)5)29(4)13-11-22(35)17-21(29)18-26(27)32-28(36)34(33-37)16-15-31/h18-20,22-27,35H,6-17H2,1-5H3,(H,32,36)/t20-,22+,23-,24?,25?,26+,27?,29+,30-/m1/s1

InChIKey

ILVJEJQFZSRDHX-MOQOIKLESA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)NC(=O)N(CCCl)N=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 190, 1995.