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Substance Name: Xanthine, 8-(heptylthio)-
RN: 73840-30-9
InChIKey: JTVLGYIEMWWNRW-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-N4-O2-S

Molecular Weight

  • 282.3662
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(heptylthio)-
  • 8-(Heptylthio)xanthine

Systematic Name

  • Xanthine, 8-(heptylthio)-

Registry Numbers

CAS Registry Number

  • 73840-30-9

System Generated Number

  • 0073840309

Structure Descriptors

InChI

1S/C12H18N4O2S/c1-2-3-4-5-6-7-19-12-13-8-9(15-12)14-11(18)16-10(8)17/h2-7H2,1H3,(H3,13,14,15,16,17,18)

InChIKey

JTVLGYIEMWWNRW-UHFFFAOYSA-N

Smiles

CCCCCCCSc1[nH]c2c(n1)[nH]c(=O)[nH]c2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02451,