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Substance Name: Carbamodithioic acid, diethyl-, 3-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)propyl ester
RN: 180301-45-5
InChIKey: IMUGRQWAPATDDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N5-O2-S2

Molecular Weight

  • 369.5117
 
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Names and Synonyms

Synonym

  • 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 180301-45-5

System Generated Number

  • 0180301455

Structure Descriptors

InChI

1S/C15H23N5O2S2/c1-5-19(6-2)15(23)24-9-7-8-20-13(21)11-12(16-10-17(11)3)18(4)14(20)22/h10H,5-9H2,1-4H3

InChIKey

IMUGRQWAPATDDH-UHFFFAOYSA-N

Smiles

CCN(CC)C(=S)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 465mg/kg (465mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Vol. 46, Pg. 93, 1996.