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Substance Name: Alanine, 1,1-dimethyl-2-(4-methylphenyl)ethyl ester, hydrobromide
RN: 66171-56-0
InChIKey: VMOCOSXRHJRYKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2.Br-H

Molecular Weight

  • 316.237
 
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Names and Synonyms

Synonym

  • 1,1-Dimethyl-2-(4-methylphenyl)ethyl 2-aminopropanoate hydrobromide

Systematic Name

  • Alanine, 1,1-dimethyl-2-(4-methylphenyl)ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 66171-56-0

System Generated Number

  • 0066171560

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C14-H21-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.BrH/c1-10-5-7-12(8-6-10)9-14(3,4)17-13(16)11(2)15;/h5-8,11H,9,15H2,1-4H3;1H

InChIKey

VMOCOSXRHJRYKS-UHFFFAOYSA-N

Smiles

C(OC([C@@H](C)[NH3+])=O)(Cc1ccc(C)cc1)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.
mouse LD50 intravenous 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.