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Substance Name: 4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-
RN: 789-98-0
InChIKey: NQJDVDOBFJHBKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O2-S

Molecular Weight

  • 268.335
 
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Names and Synonyms

Synonyms

  • 5-18-02-00259 (Beilstein Handbook Reference)
  • 6-Methoxythioflavone
  • BRN 0219006

Systematic Names

  • 1-Thioflavone, 6-methoxy- (7CI,8CI)
  • 4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-

Registry Numbers

CAS Registry Number

  • 789-98-0

System Generated Number

  • 0000789980

Structure Descriptors

InChI

1S/C16H12O2S/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey

NQJDVDOBFJHBKX-UHFFFAOYSA-N

Smiles

c1(sc2ccc(cc2c(c1)=O)OC)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 21, Pg. 193, 1984.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 21, Pg. 193, 1984.