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Substance Name: 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-
RN: 34618-56-9
InChIKey: XEQFFMYQZILAPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N2-O-S

Molecular Weight

  • 196.273
 
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Names and Synonyms

Synonym

  • 3,5,6,7,8,9-Hexahydro-2-mercapto-4H-cycloheptapyrimidin-4-one

Systematic Name

  • 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-

Registry Numbers

CAS Registry Number

  • 34618-56-9

System Generated Number

  • 0034618569

Structure Descriptors

InChI

1S/C9H12N2OS/c12-8-6-4-2-1-3-5-7(6)10-9(13)11-8/h1-5H2,(H2,10,11,12,13)

InChIKey

XEQFFMYQZILAPT-UHFFFAOYSA-N

Smiles

c12c(c([nH]c(n1)S)=O)CCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry. Vol. 9, Pg. 201, 1971.