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Substance Name: Benzoic acid, m-(bis(2-chloroethyl)amino)-
RN: 3085-98-1
InChIKey: WVXYNWIVVDXMJC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C11-H13-Cl2-N-O2

Molecular Weight

  • 262.135
 
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Names and Synonyms

Synonyms

  • 3-(Bis(2-chloroethyl)amino)benzoic acid
  • 4-14-00-01098 (Beilstein Handbook Reference)
  • Benzoic acid, 3-(bis(2-chloroethyl)amino)-
  • BRN 2810541
  • m-(Bis(2-chloroethyl)amino)benzoic acid
  • NSC 240365

Systematic Name

  • Benzoic acid, m-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 3085-98-1

System Generated Number

  • 0003085981

Structure Descriptors

InChI

1S/C11H13Cl2NO2/c12-4-6-14(7-5-13)10-3-1-2-9(8-10)11(15)16/h1-3,8H,4-7H2,(H,15,16)

InChIKey

WVXYNWIVVDXMJC-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)cc(ccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 110mg/kg (110mg/kg)   Neoplasma. Vol. 27, Pg. 261, 1980.