Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, m-chlorobenzoate
RN: 22954-17-2
InChIKey: NAXCZPWMFMOBLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br2-Cl-N-O2

Molecular Weight

  • 461.579
 
* 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-chloro-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3067729
  • p-(Bis(2-bromoethyl)amino)phenol m-chlorobenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl m-chlorobenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22954-17-2

System Generated Number

  • 0022954172

Structure Descriptors

InChI

1S/C17H16Br2ClNO2/c18-8-10-21(11-9-19)15-4-6-16(7-5-15)23-17(22)13-2-1-3-14(20)12-13/h1-7,12H,8-11H2

InChIKey

NAXCZPWMFMOBLL-UHFFFAOYSA-N

Smiles

C(c1cc(Cl)ccc1)(Oc1ccc(cc1)N(CCBr)CCBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4200ug/kg (4.2mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 3500ug/kg (3.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.