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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(5-(2-(4-morpholinyl)ethyl)-1,2,4-oxadiazol-3-yl)ethyl)-, monohydrochloride
RN: 88338-06-1
InChIKey: JBYVUTJWMYAGID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N7-O4.Cl-H

Molecular Weight

  • 425.8746
 
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Names and Synonyms

Synonym

  • 2-Morpholinomethyl-4-(7'-theophyllinylmethyl)dioxolane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 88338-06-1

System Generated Number

  • 0088338061

Molecular Formulas

Molecular Formula

  • C17-H23-N7-O4.Cl-H

Molecular Formula Fragments

  • C17-H23-N7-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23N7O4.ClH/c1-21-15-14(16(25)22(2)17(21)26)24(11-18-15)6-3-12-19-13(28-20-12)4-5-23-7-9-27-10-8-23;/h11H,3-10H2,1-2H3;1H

InChIKey

JBYVUTJWMYAGID-UHFFFAOYSA-N

Smiles

c12c(c(=O)n(c(=O)n1C)C)n(cn2)CCc1nc(on1)CCN1CCOCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 217mg/kg (217mg/kg)   United States Patent Document. Vol. #4565817,
mouse LD50 oral 2600mg/kg (2600mg/kg)   United States Patent Document. Vol. #4565817,
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4378359,