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Substance Name: beta-Alanine, 3-phenyl-, nonyl ester, hydrochloride, DL-
RN: 87252-93-5
InChIKey: LCRRFPRANVOBRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O2.Cl-H

Molecular Weight

  • 327.893
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87252-93-5

System Generated Number

  • 0087252935

Molecular Formulas

Molecular Formula

  • C18-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO2.ClH/c1-2-3-4-5-6-7-11-14-21-18(20)15-17(19)16-12-9-8-10-13-16;/h8-10,12-13,17H,2-7,11,14-15,19H2,1H3;1H

InChIKey

LCRRFPRANVOBRQ-UHFFFAOYSA-N

Smiles

CCCCCCCCCOC(=O)CC(c1ccccc1)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 71500ug/kg (71.5mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.