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Substance Name: 1-Piperazinecarboxylic acid, 4-(1H-purin-6-yl)-, ethyl ester
RN: 84806-94-0
InChIKey: NVDONUZZBAEOBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N6-O2

Molecular Weight

  • 276.2984
 
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Names and Synonyms

Synonym

  • Ethyl 4-(1H-purin-6-yl)-1-piperazinecarboxylate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(1H-purin-6-yl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 84806-94-0

System Generated Number

  • 0084806940

Structure Descriptors

InChI

1S/C12H16N6O2/c1-2-20-12(19)18-5-3-17(4-6-18)11-9-10(14-7-13-9)15-8-16-11/h7-8H,2-6H2,1H3,(H,13,14,15,16)

InChIKey

NVDONUZZBAEOBG-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCN(CC1)c2c-3ncnc3nc[nH]2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4459296,