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Substance Name: beta-Alanine, 3-phenyl-, 4,4-dimethylpentyl ester, hydrochloride, DL-
RN: 87252-99-1
InChIKey: NCHBGIBPBXEERZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2.Cl-H

Molecular Weight

  • 299.8394
 
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Names and Synonyms

Synonyms

  • Benzenepropanoic acid, beta-amino-, 4,4-methylpentyl ester, hydrochloride, (+-)-
  • DL-3-Phenyl-beta-alanine 4,4-dimethylpentyl ester hydrochloride

Systematic Name

  • beta-Alanine, 3-phenyl-, 4,4-dimethylpentyl ester, hydrochloride, DL-

Registry Numbers

CAS Registry Number

  • 87252-99-1

System Generated Number

  • 0087252991

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2.ClH/c1-16(2,3)10-7-11-19-15(18)12-14(17)13-8-5-4-6-9-13;/h4-6,8-9,14H,7,10-12,17H2,1-3H3;1H

InChIKey

NCHBGIBPBXEERZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.