Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate
RN: 22953-43-1
InChIKey: RDBVETSHLDWOJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br2-N2-O4

Molecular Weight

  • 472.131
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Benzoic acid, m-nitro-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3072209
  • p-(Bis(2-bromoethyl)amino)phenol m-nitrobenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl m-nitrobenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22953-43-1

System Generated Number

  • 0022953431

Structure Descriptors

InChI

1S/C17H16Br2N2O4/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

RDBVETSHLDWOJK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4mg/kg (4mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 4mg/kg (4mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.