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Substance Name: Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester
RN: 80782-87-2
InChIKey: KBTPBSJQZAFHSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N-O5-S

Molecular Weight

  • 331.3467
 
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Names and Synonyms

Synonyms

  • 2-(6-Methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)acetic acid methyl ester
  • BRN 5130667

Systematic Name

  • Acetic acid, 2-(6-methyl-4-oxo-3-(thiazol-4-yl)-4H-1-benzopyran-7-yloxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 80782-87-2

System Generated Number

  • 0080782872

Structure Descriptors

InChI

1S/C16H13NO5S/c1-9-3-10-14(4-13(9)22-6-15(18)20-2)21-5-11(16(10)19)12-7-23-8-17-12/h3-5,7-8H,6H2,1-2H3

InChIKey

KBTPBSJQZAFHSF-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1OCC(=O)OC)occ(c2=O)c3cscn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 780, 1981.