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Substance Name: Aspirin-alanine
RN: 3641-48-3
InChIKey: QAAAKWYDNOYIMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O6

Molecular Weight

  • 267.236
 
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Names and Synonyms

Name of Substance

  • Aspirin-alanine

Synonyms

  • Aspirin-alanine
  • BRN 2666572
  • DL-4-Acetoxy-3-carboxyphenylalanine

Systematic Name

  • Tyrosine, 3-carboxy-, acetate, DL-

Registry Numbers

CAS Registry Number

  • 3641-48-3

System Generated Number

  • 0003641483

Structure Descriptors

InChI

1S/C12H13NO6/c1-6(14)19-10-3-2-7(4-8(10)11(15)16)5-9(13)12(17)18/h2-4,9H,5,13H2,1H3,(H,15,16)(H,17,18)

InChIKey

QAAAKWYDNOYIMB-UHFFFAOYSA-N

Smiles

O(C(=O)C)c1c(cc(C[C@@H](N)C(=O)O)cc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 8, Pg. 812, 1965.