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Substance Name: 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
RN: 88338-88-9
InChIKey: DJAXYTCEYBZGKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N5-O2

Molecular Weight

  • 247.2567
 
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Names and Synonyms

Synonyms

  • 1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-butanenitrile
  • 7-Cyanopropyltheophylline
  • BRN 4262490

Systematic Name

  • 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

Registry Numbers

CAS Registry Number

  • 88338-88-9

System Generated Number

  • 0088338889

Structure Descriptors

InChI

1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3

InChIKey

DJAXYTCEYBZGKN-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCCC#N)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 275mg/kg (275mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 849, 1989.