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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate
RN: 22954-14-9
InChIKey: PRMOCPYCVSHNMG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Br2-N-O2

Molecular Weight

  • 469.215
 
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Names and Synonyms

Synonyms

  • Benzoic acid, o-isopropyl-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3067151
  • p-(Bis(2-bromoethyl)amino)phenol o-isopropylbenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl o-isopropylbenzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate

Registry Numbers

CAS Registry Number

  • 22954-14-9

System Generated Number

  • 0022954149

Structure Descriptors

InChI

1S/C20H23Br2NO2/c1-15(2)18-5-3-4-6-19(18)20(24)25-17-9-7-16(8-10-17)23(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3

InChIKey

PRMOCPYCVSHNMG-UHFFFAOYSA-N

Smiles

C(c1c(C(C)C)cccc1)(Oc1ccc(cc1)N(CCBr)CCBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6500ug/kg (6.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.