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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, p-nitrobenzoate
RN: 22953-44-2
InChIKey: SDAIMQSEPQFQJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br2-N2-O4

Molecular Weight

  • 472.131
 
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Names and Synonyms

Synonyms

  • Benzoic acid, p-nitro-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3069878
  • p-(Bis(2-bromoethyl)amino)phenol p-nitrobenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl p-nitrobenzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, p-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 22953-44-2

System Generated Number

  • 0022953442

Structure Descriptors

InChI

1S/C17H16Br2N2O4/c18-9-11-20(12-10-19)14-5-7-16(8-6-14)25-17(22)13-1-3-15(4-2-13)21(23)24/h1-8H,9-12H2

InChIKey

SDAIMQSEPQFQJY-UHFFFAOYSA-N

Smiles

[N+](c1ccc(C(Oc2ccc(cc2)N(CCBr)CCBr)=O)cc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 2mg/kg (2mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.