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Substance Name: Urea, N-(2-chloroethyl)-N'-(5-(dimethylamino)-2,2-bis(4-fluorophenyl)pentyl)-N-nitroso-
RN: 78850-51-8
InChIKey: YXERUDITAZTWMU-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-Cl-F2-N4-O2

Molecular Weight

  • 452.9303
 
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Names and Synonyms

Synonyms

  • LU 16-035
  • N-(2-Chloroethyl)-N'-(5-(dimethylamino)-2,2-bis(4-fluorophenyl)pentyl)-N-nitrosourea

Systematic Name

  • Urea, N-(2-chloroethyl)-N'-(5-(dimethylamino)-2,2-bis(4-fluorophenyl)pentyl)-N-nitroso-

Registry Numbers

CAS Registry Number

  • 78850-51-8

System Generated Number

  • 0078850518

Structure Descriptors

InChI

1S/C22H27ClF2N4O2/c1-28(2)14-3-12-22(17-4-8-19(24)9-5-17,18-6-10-20(25)11-7-18)16-26-21(30)29(27-31)15-13-23/h4-11H,3,12-16H2,1-2H3,(H,26,30)

InChIKey

YXERUDITAZTWMU-UHFFFAOYSA-N

Smiles

CN(C)CCCC(CNC(=O)N(CCCl)N=O)(c1ccc(cc1)F)c2ccc(cc2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 128mg/kg (128mg/kg)   INSERM Symposium. Vol. 19, Pg. 113, 1981.