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Substance Name: Hydrocinnamic acid, alpha-amino-3-carboxy-4-methoxy-, hydrochloride, DL-
RN: 3641-44-9
InChIKey: CBQVPJZHMOIXNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N-O5.Cl-H

Molecular Weight

  • 275.687
 
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Names and Synonyms

Synonyms

  • Alanine, 3-carboxy-4-methoxyphenyl-, hydrochloride, DL-
  • DL-3-Carboxy-4-methoxyphenylalanine hydrochloride
  • DL-alpha-Amino-3-carboxy-4-methoxy-hydrocinnamic acid hydrochloride

Systematic Name

  • Hydrocinnamic acid, alpha-amino-3-carboxy-4-methoxy-, hydrochloride, DL-

Registry Numbers

CAS Registry Number

  • 3641-44-9

System Generated Number

  • 0003641449

Molecular Formulas

Molecular Formula

  • C11-H13-N-O5.Cl-H

Molecular Formula Fragments

  • C11-H13-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13NO5.ClH/c1-17-9-3-2-6(4-7(9)10(13)14)5-8(12)11(15)16;/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16);1H

InChIKey

CBQVPJZHMOIXNF-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C[C@@H](C(O)=O)N)OC)C(O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5gm/kg (5000mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 478, 1967.
mouse LD50 intravenous 683mg/kg (683mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 8, Pg. 812, 1965.
mouse LD50 oral 5gm/kg (5000mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 8, Pg. 812, 1965.