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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(1-pyrrolidinyl)-, (E)-2-butenedioate (1:2)
RN: 122113-43-3
InChIKey: VAPQSVRAFUMPBU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N4-O.2C4-H4-O4

Molecular Weight

  • 450.4018
 
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Names and Synonyms

Synonym

  • 7-Methyl-2-pyrrolidino-5,7-dihydro-6H-pyrrolo(2,3-d)pyrimidin-6-one fumarate (1:2)

Systematic Name

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(1-pyrrolidinyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 122113-43-3

System Generated Number

  • 0122113433

Molecular Formulas

Molecular Formula

  • C11-H14-N4-O.2C4-H4-O4

Molecular Formula Fragments

  • C11-H14-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14N4O.2C4H4O4/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-4-2-3-5-15;2*5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VAPQSVRAFUMPBU-LVEZLNDCSA-N

Smiles

CN1C(=O)Cc2c1nc(nc2)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5304555,