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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, 2,6-dimethylbenzoate
RN: 21667-03-8
InChIKey: TZYLXYZBEHLNSG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Br2-N-O2

Molecular Weight

  • 455.188
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 2,6-dimethyl-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3065998
  • p-(Bis(2-bromoethyl)amino)phenol 2,6-dimethylbenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl 2,6-dimethylbenzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, 2,6-dimethylbenzoate

Registry Numbers

CAS Registry Number

  • 21667-03-8

System Generated Number

  • 0021667038

Structure Descriptors

InChI

1S/C19H21Br2NO2/c1-14-4-3-5-15(2)18(14)19(23)24-17-8-6-16(7-9-17)22(12-10-20)13-11-21/h3-9H,10-13H2,1-2H3

InChIKey

TZYLXYZBEHLNSG-UHFFFAOYSA-N

Smiles

C(c1c(cccc1C)C)(Oc1ccc(cc1)N(CCBr)CCBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.