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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(5-(2-(4-morpholinyl)ethyl)-1,2,4-oxadiazol-3-yl)propyl)-, (Z)-2-butenedioate (1:1)
RN: 88338-23-2
InChIKey: FDPZHHLFGSDZLJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N7-O4.C4-H4-O4

Molecular Weight

  • 519.5121
 
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Names and Synonyms

Synonym

  • 4-Pyrrolidinomethyl-2-(7'-theophyllinyl)-dioxolane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 88338-23-2

System Generated Number

  • 0088338232

Molecular Formulas

Molecular Formula

  • C18-H25-N7-O4.C4-H4-O4

Molecular Formula Fragments

  • C18-H25-N7-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25N7O4.C4H4O4/c1-22-16-15(17(26)23(2)18(22)27)25(12-19-16)6-3-4-13-20-14(29-21-13)5-7-24-8-10-28-11-9-24;5-3(6)1-2-4(7)8/h12H,3-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

FDPZHHLFGSDZLJ-BTJKTKAUSA-N

Smiles

C(=O)(/C=C\C(=O)O)O.n1c(noc1CCN1CCOCC1)CCCn1c2c(n(c(=O)n(c2=O)C)C)nc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 220mg/kg (220mg/kg)   United States Patent Document. Vol. #4565817,
mouse LD50 oral 1900mg/kg (1900mg/kg)   United States Patent Document. Vol. #4565817,
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4378359,