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Substance Name: Butyric acid, 2-amino-4-phenyl-, octyl ester, hydrochloride, DL-
RN: 87253-06-3
InChIKey: NYMMWJXUDWHGBU-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

  • Benzenebutanoic acid, alpha-amino-, octyl ester, hydrochloride, (+-)-
  • DL-2-Amino-4-phenylbutyric acid octyl ester hydrochloride

Systematic Name

  • Butyric acid, 2-amino-4-phenyl-, octyl ester, hydrochloride, DL-

Registry Numbers

CAS Registry Number

  • 87253-06-3

System Generated Number

  • 0087253063

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/c1-2-3-4-5-6-10-15-21-18(20)17(19)14-13-16-11-8-7-9-12-16;/h7-9,11-12,17H,2-6,10,13-15,19H2,1H3;1H

InChIKey

NYMMWJXUDWHGBU-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=O)C(CCc1ccccc1)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 265mg/kg (265mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.