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Substance Name: Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride
RN: 66171-58-2
InChIKey: DLCDKGLVCMWARH-PPHPATTJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O3.Cl-H

Molecular Weight

  • 287.7848
 
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Names and Synonyms

Synonym

  • 2-(4-Methoxyphenyl)-1,1-dimethyl 2-aminopropanoate hydrochloride

Systematic Name

  • Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66171-58-2

System Generated Number

  • 0066171582

Molecular Formulas

Molecular Formula

  • C14-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO3.ClH/c1-10(15)13(16)18-14(2,3)9-11-5-7-12(17-4)8-6-11;/h5-8,10H,9,15H2,1-4H3;1H/t10-;/m0./s1

InChIKey

DLCDKGLVCMWARH-PPHPATTJSA-N

Smiles

C[C@@H](C(=O)OC(C)(C)Cc1ccc(cc1)OC)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 301mg/kg (301mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.
mouse LD50 intravenous 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 448, 1978.