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Substance Name: Baxitozine sodium
RN: 84386-13-0
InChIKey: ZWFAHYAMJGHWCS-FXRZFVDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-O6.Na

Molecular Weight

  • 288.2297
 
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Names and Synonyms

Name of Substance

  • Baxitozine sodium

Synonyms

  • (E)-4-(3,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid sodium salt
  • Sodium (E)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoate

Systematic Name

  • 2-Butenoic acid, 4-oxo-4-(3,4,5-trimethoxyphenyl)-, sodium salt, (E)-

Registry Numbers

CAS Registry Number

  • 84386-13-0

System Generated Number

  • 0084386130

Molecular Formulas

Molecular Formula

  • C13-H13-O6.Na

Molecular Formula Fragments

  • C13-H13-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H14O6.Na/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3;/h4-7H,1-3H3,(H,15,16);/q;+1/p-1/b5-4+;

InChIKey

ZWFAHYAMJGHWCS-FXRZFVDSSA-M

Smiles

COc1cc(cc(c1OC)OC)C(=O)/C=C/C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   British UK Patent Application. Vol. #2096999,