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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, m-nitrobenzoate
RN: 22953-58-8
InChIKey: OTCCTHBQSGSBNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Cl2-N2-O4

Molecular Weight

  • 383.229
 
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Names and Synonyms

Synonyms

  • Benzoic acid, m-nitro-, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2780448
  • p-(Bis(2-chloroethyl)amino)phenol m-nitrobenzoate
  • p-(Bis(2-chloroethyl)amino)phenyl m-nitrobenzoate

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, m-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 22953-58-8

System Generated Number

  • 0022953588

Structure Descriptors

InChI

1S/C17H16Cl2N2O4/c18-8-10-20(11-9-19)14-4-6-16(7-5-14)25-17(22)13-2-1-3-15(12-13)21(23)24/h1-7,12H,8-11H2

InChIKey

OTCCTHBQSGSBNA-UHFFFAOYSA-N

Smiles

[N+](c1cc(C(Oc2ccc(cc2)N(CCCl)CCCl)=O)ccc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15500ug/kg (15.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.