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Substance Name: Hydrocinnamic acid, alpha-amino-3-carboxy-4-chloro-, DL-
RN: 13406-46-7
InChIKey: CZQFEVBWZSZLCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-Cl-N-O4

Molecular Weight

  • 243.645
 
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Names and Synonyms

Synonyms

  • BRN 2943887
  • DL-alpha-Amino-3-carboxy-4-chlorohydrocinnamic acid

Systematic Name

  • Hydrocinnamic acid, alpha-amino-3-carboxy-4-chloro-, DL-

Registry Numbers

CAS Registry Number

  • 13406-46-7

System Generated Number

  • 0013406467

Structure Descriptors

InChI

1S/C10H10ClNO4/c11-7-2-1-5(3-6(7)9(13)14)4-8(12)10(15)16/h1-3,8H,4,12H2,(H,13,14)(H,15,16)

InChIKey

CZQFEVBWZSZLCJ-UHFFFAOYSA-N

Smiles

c1(C(=O)O)cc(ccc1Cl)C[C@@H](C(O)=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 478, 1967.