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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(dimethylamino)-7-methyl-, (Z)-2-butenedioate (1:1)
RN: 122113-42-2
InChIKey: MJZSXMYXEISKFX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O.C4-H4-O4

Molecular Weight

  • 308.2924
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 122113-42-2

System Generated Number

  • 0122113422

Molecular Formulas

Molecular Formula

  • C9-H12-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C9-H12-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12N4O.C4H4O4/c1-12(2)9-10-5-6-4-7(14)13(3)8(6)11-9;5-3(6)1-2-4(7)8/h5H,4H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MJZSXMYXEISKFX-WLHGVMLRSA-N

Smiles

CN1c2c(cnc(n2)N(C)C)CC1=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,