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Substance Name: 1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,5-dimethyl-7-phenyl-, hydrochloride, hemihydrate
RN: 70886-86-1
InChIKey: ZFUIIAAVVIJYJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O.Cl-H.1/2H2-O

Molecular Weight

  • 331.8448
 
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Names and Synonyms

Synonym

  • 1,3-Diethyl-4,5-dimethyl-7-phenylpyrrolo(1H,3H)(3,4-d)pyrimidin-2-one hydrochloride

Systematic Name

  • 1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,5-dimethyl-7-phenyl-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 70886-86-1

System Generated Number

  • 0070886861

Molecular Formulas

Molecular Formula

  • C18-H21-N3-O.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C18-H21-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21N3O.ClH/c1-5-20-13(4)15-12(3)19-16(14-10-8-7-9-11-14)17(15)21(6-2)18(20)22;/h7-11H,5-6H2,1-4H3;1H

InChIKey

ZFUIIAAVVIJYJY-UHFFFAOYSA-N

Smiles

Cl.CCN1C(=C2C(=NC(=C2N(CC)C1=O)c3ccccc3)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 316, 1979.