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Substance Name: 4(1H)-Pyrimidinone, 5-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-, S,S-dioxide
RN: 153004-52-5
InChIKey: LUTJILCNBNDOMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O3-S

Molecular Weight

  • 276.3148
 
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Names and Synonyms

Synonym

  • 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)-4(1H)-pyrimidinone S,S-dioxide

Systematic Name

  • 4(1H)-Pyrimidinone, 5-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 153004-52-5

System Generated Number

  • 0153004525

Structure Descriptors

InChI

1S/C13H12N2O3S/c16-13-11(7-14-8-15-13)9-5-6-19(17,18)12-4-2-1-3-10(9)12/h1-4,7-9H,5-6H2,(H,14,15,16)

InChIKey

LUTJILCNBNDOMZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(CCS2(=O)=O)c3c[nH]cnc3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Currents in Toxicology and Therapy. Vol. 1, Pg. 49, 1993.