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Substance Name: Urea, N-(2-chloroethyl)-N'-(3-hydroxy-2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)propyl)-N-nitroso-
RN: 164120-27-8
InChIKey: ZEJUTJNGMIKUTK-BPXUUHLCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H56-Cl-N3-O4

Molecular Weight

  • 594.2754
 
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Names and Synonyms

Synonym

  • 7-beta-(2-N-(2-Chloroethyl-N-nitroso-N-carbonyl)amino(hydroxymethyl)ethyl)cholesterol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 164120-27-8

System Generated Number

  • 0164120278

Structure Descriptors

InChI

1S/C33H56ClN3O4/c1-21(2)7-6-8-22(3)27-9-10-28-30-26(23(20-38)19-35-31(40)37(36-41)16-15-34)18-24-17-25(39)11-13-32(24,4)29(30)12-14-33(27,28)5/h18,21-23,25-30,38-39H,6-17,19-20H2,1-5H3,(H,35,40)/t22-,23?,25+,26-,27-,28?,29?,30?,32+,33-/m1/s1

InChIKey

ZEJUTJNGMIKUTK-BPXUUHLCSA-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)C(CNC(=O)N(CCCl)N=O)CO)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.