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Substance Name: Urea, 1-(2-chloroethyl)-3-(2,3,3a,4,5,9b-hexahydro-1H-benz(e)inden-5-yl)-1-nitroso-
RN: 80639-79-8
InChIKey: NGIXPKIKQYLTDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-Cl-N3-O2

Molecular Weight

  • 321.806
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(2,3,3a,4,5,9b-hexahydro-1H-benz(e)inden-5-yl)-1-nitrosourea
  • N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea

Systematic Name

  • Urea, 1-(2-chloroethyl)-3-(2,3,3a,4,5,9b-hexahydro-1H-benz(e)inden-5-yl)-1-nitroso-

Registry Numbers

CAS Registry Number

  • 80639-79-8

System Generated Number

  • 0080639798

Structure Descriptors

InChI

1S/C16H20ClN3O2/c17-8-9-20(19-22)16(21)18-15-10-11-4-3-7-12(11)13-5-1-2-6-14(13)15/h1-2,5-6,11-12,15H,3-4,7-10H2,(H,18,21)

InChIKey

NGIXPKIKQYLTDQ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C3CCCC3CC2NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 750mg/kg (750mg/kg)   Revue Roumaine de Biochimie. Vol. 18, Pg. 175, 1981.