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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)
RN: 122113-45-5
InChIKey: FCSMQHXKNDXBCC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N5-O.C4-H4-O4

Molecular Weight

  • 363.3719
 
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Names and Synonyms

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 122113-45-5

System Generated Number

  • 0122113455

Molecular Formulas

Molecular Formula

  • C12-H17-N5-O.C4-H4-O4

Molecular Formula Fragments

  • C12-H17-N5-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N5O.C4H4O4/c1-15-3-5-17(6-4-15)12-13-8-9-7-10(18)16(2)11(9)14-12;5-3(6)1-2-4(7)8/h8H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FCSMQHXKNDXBCC-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)c2ncc3c(n2)N(C(=O)C3)C.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,