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Substance Name: Carbamodithioic acid, diethyl-, 2,3,6,7-tetrahydro-2,6-dioxo-1,3,7-trimethyl-1H-purin-8-yl ester
RN: 180301-42-2
InChIKey: WHYUBHKOVOCYJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N5-O2-S2

Molecular Weight

  • 341.4581
 
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Names and Synonyms

Synonym

  • 8-(Diethyldithiocarbamoyl)xanthine

Systematic Name

  • Carbamodithioic acid, diethyl-, 2,3,6,7-tetrahydro-2,6-dioxo-1,3,7-trimethyl-1H-purin-8-yl ester

Registry Numbers

CAS Registry Number

  • 180301-42-2

System Generated Number

  • 0180301422

Structure Descriptors

InChI

1S/C13H19N5O2S2/c1-6-18(7-2)13(21)22-11-14-9-8(15(11)3)10(19)17(5)12(20)16(9)4/h6-7H2,1-5H3

InChIKey

WHYUBHKOVOCYJI-UHFFFAOYSA-N

Smiles

CCN(CC)C(=S)Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 143mg/kg (143mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Vol. 46, Pg. 93, 1996.