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Substance Name: Acetic acid, bromo-, 2-((dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl ester
RN: 3785-28-2
InChIKey: NZOLBUNOTNPNKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Br-Cl2-N-O5-S

Molecular Weight

  • 461.158
 
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Names and Synonyms

Synonyms

  • 2,2-Dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)acetamide bromoacetate (ester)
  • BRN 2782901
  • M & B 6163

Systematic Name

  • Acetic acid, bromo-, 2-((dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl ester

Registry Numbers

CAS Registry Number

  • 3785-28-2

System Generated Number

  • 0003785282

Structure Descriptors

InChI

1S/C14H16BrCl2NO5S/c1-24(21,22)11-4-2-10(3-5-11)9-18(14(20)13(16)17)6-7-23-12(19)8-15/h2-5,13H,6-9H2,1H3

InChIKey

NZOLBUNOTNPNKG-UHFFFAOYSA-N

Smiles

c1(CN(CCOC(CBr)=O)C(C(Cl)Cl)=O)ccc(S(C)(=O)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3800mg/kg (3800mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 128, 1962.