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Substance Name: Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
RN: 13907-61-4
InChIKey: RRTCCTJFLQKSPL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Cl2-N6-O6

Molecular Weight

  • 421.196
 
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Names and Synonyms

Synonyms

  • 1,1'-(5-Carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea)
  • 3,5-Bis(3-(2-chloroethyl)-3-nitrosoureido)benzoic acid
  • BRN 2925833
  • NSC 84955
  • Urea, 1,1'-(5-carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitroso-

Systematic Name

  • Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-

Registry Numbers

CAS Registry Number

  • 13907-61-4

System Generated Number

  • 0013907614

Structure Descriptors

InChI

1S/C13H14Cl2N6O6/c14-1-3-20(18-26)12(24)16-9-5-8(11(22)23)6-10(7-9)17-13(25)21(19-27)4-2-15/h5-7H,1-4H2,(H,16,24)(H,17,25)(H,22,23)

InChIKey

RRTCCTJFLQKSPL-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)NC(N(CCCl)N=O)=O)C(O)=O)NC(N(CCCl)N=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 370mg/kg (370mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 892, 1966.