Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(5-(2-(4-methyl-1-piperazinyl)ethyl)-1,2,4-oxadiazol-3-yl)propyl)-, (Z)-2-butenedioate (1:2) (salt)
RN: 88338-43-6
InChIKey: SGOMKXWZITWAPK-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N8-O4.2C4-H4-O4

Molecular Weight

  • 664.6254
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(5-(2-(4-methyl-1-piperazinyl)ethyl)-1,2,4-oxadiazol-3-yl)propyl)-, (Z)-2-butenedioate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 88338-43-6

System Generated Number

  • 0088338436

Molecular Formulas

Molecular Formula

  • C19-H28-N8-O4.2C4-H4-O4

Molecular Formula Fragments

  • C19-H28-N8-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28N8O4.2C4H4O4/c1-23-6-8-26(9-7-23)5-4-15-21-14(22-31-15)10-13(28)11-27-12-20-17-16(27)18(29)25(3)19(30)24(17)2;2*5-3(6)1-2-4(7)8/h12-13,28H,4-11H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

SGOMKXWZITWAPK-SPIKMXEPSA-N

Smiles

C(=O)(/C=C\C(=O)O)O.n1c(noc1CCN1CCN(CC1)C)CC(Cn1c2c(n(c(=O)n(c2=O)C)C)nc1)O.C(=O)(/C=C\C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 215mg/kg (215mg/kg)   United States Patent Document. Vol. #4565817,
mouse LD50 oral 1800mg/kg (1800mg/kg)   United States Patent Document. Vol. #4565817,