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Substance Name: Alanine, 2-(3,4-dichlorophenyl)-1,1-dimethylethyl ester, hydrobromide
RN: 57483-87-1
InChIKey: SZIMSUUHKKAQMR-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-Cl2-N-O2.Br-H

Molecular Weight

  • 371.1
 
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Names and Synonyms

Synonym

  • 2-(3,4-Dichlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrobromide

Systematic Name

  • Alanine, 2-(3,4-dichlorophenyl)-1,1-dimethylethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 57483-87-1

System Generated Number

  • 0057483871

Molecular Formulas

Molecular Formula

  • C13-H17-Cl2-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C13-H17-Cl2-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17Cl2NO2.BrH/c1-12(2,3)18-11(17)13(4,16)8-5-6-9(14)10(15)7-8;/h5-7H,16H2,1-4H3;1H

InChIKey

SZIMSUUHKKAQMR-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC(C)(C)C)=O)(C)[NH3+])cc(c(Cl)cc1)Cl.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.
mouse LD50 intravenous 55mg/kg (55mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.