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Substance Name: Piperidine, 1-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)
RN: 126480-53-3
InChIKey: IVTWNYUAQLEMMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N6-O2.Cl-H.H2-O

Molecular Weight

  • 340.8129
 
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Names and Synonyms

  • Piperidine, 1-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 126480-53-3

System Generated Number

  • 0126480533

Molecular Formulas

Molecular Formula

  • C14-H20-N6-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C14-H20-N6-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H20N6O2.ClH/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)8-10(15)19-6-4-3-5-7-19;/h9,15H,3-8H2,1-2H3;1H

InChIKey

IVTWNYUAQLEMMW-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2ncn(CC(=N)N3CCCCC3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 57mg/kg (57mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 849, 1989.