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Substance Name: Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
RN: 49554-10-1
InChIKey: LCMSTKOWXRZFRM-NTISSMGPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O2.Cl-H

Molecular Weight

  • 313.866
 
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Names and Synonyms

Synonym

  • DL-3-Phenylalanine octyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49554-10-1

System Generated Number

  • 0049554101

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)16(18)14-15-11-8-7-9-12-15;/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3;1H/t16-;/m0./s1

InChIKey

LCMSTKOWXRZFRM-NTISSMGPSA-N

Smiles

C([C@@H](N)Cc1ccccc1)(=O)OCCCCCCCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 238mg/kg (238mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.