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Substance Name: Carbamodithioic acid, diethyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
RN: 180301-43-3
InChIKey: WDIRJZXAQSLJGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N5-O2-S2

Molecular Weight

  • 355.4849
 
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Names and Synonyms

Synonym

  • 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine

Systematic Name

  • Carbamodithioic acid, diethyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 180301-43-3

System Generated Number

  • 0180301433

Structure Descriptors

InChI

1S/C14H21N5O2S2/c1-5-18(6-2)14(22)23-8-7-19-9-15-11-10(19)12(20)17(4)13(21)16(11)3/h9H,5-8H2,1-4H3

InChIKey

WDIRJZXAQSLJGW-UHFFFAOYSA-N

Smiles

CCN(CC)C(=S)SCCn1cnc2c1c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 528mg/kg (528mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Vol. 46, Pg. 93, 1996.