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Substance Name: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-
RN: 130688-99-2
InChIKey: AMBVQELMCDJJSP-UKTHLTGXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-O3-S

Molecular Weight

  • 312.3874
 
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Names and Synonyms

Synonyms

  • (Z)-2,3-Dihydro-3-((3,4-dimethoxyphenyl)methylene)-4H-1-benzothiopyran-4-one
  • 5-18-04-00106 (Beilstein Handbook Reference)
  • BRN 3618501

Systematic Name

  • 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-

Registry Numbers

CAS Registry Number

  • 130688-99-2

System Generated Number

  • 0130688992

Structure Descriptors

InChI

1S/C18H16O3S/c1-20-15-8-7-12(10-16(15)21-2)9-13-11-22-17-6-4-3-5-14(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+

InChIKey

AMBVQELMCDJJSP-UKTHLTGXSA-N

Smiles

COc1ccc(cc1OC)/C=C/2\CSc3ccccc3C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 221mg/kg (221mg/kg)   Drug and Chemical Toxicology. Vol. 13, Pg. 195, 1990.