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Substance Name: beta-Alanine, 3-phenyl-, 3,3-dimethylbutyl ester, hydrochloride, DL-
RN: 87252-98-0
InChIKey: DSHLEXJGVNRPNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Weight

  • 285.8126
 
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Names and Synonyms

Synonyms

  • Benzenepropanoic acid, beta-amino-, 3,3-dimethylbutyl ester, hydrochloride, (+-)-
  • DL-3-Phenyl-beta-alanine 3,3-dimethylbutyl ester hydrochloride

Systematic Name

  • beta-Alanine, 3-phenyl-, 3,3-dimethylbutyl ester, hydrochloride, DL-

Registry Numbers

CAS Registry Number

  • 87252-98-0

System Generated Number

  • 0087252980

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO2.ClH/c1-15(2,3)9-10-18-14(17)11-13(16)12-7-5-4-6-8-12;/h4-8,13H,9-11,16H2,1-3H3;1H

InChIKey

DSHLEXJGVNRPNE-UHFFFAOYSA-N

Smiles

CC(C)(C)CCOC(=O)CC(c1ccccc1)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 146mg/kg (146mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.