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Substance Name: beta-Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
RN: 87252-92-4
InChIKey: NMMYBCBPKQXPOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O2.Cl-H

Molecular Weight

  • 313.8662
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87252-92-4

System Generated Number

  • 0087252924

Molecular Formulas

Molecular Formula

  • C17-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO2.ClH/c1-2-3-4-5-6-10-13-20-17(19)14-16(18)15-11-8-7-9-12-15;/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3;1H

InChIKey

NMMYBCBPKQXPOG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76mg/kg (76mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.