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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1)
RN: 130187-62-1
InChIKey: OHKJMYCLEVMQKJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-N6-O2.C4-H4-O4

Molecular Weight

  • 556.66
 
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Names and Synonyms

Synonym

  • 7-Benzyl-8-(2-N,N-di-n-butylaminoethyl)aminotheophylline hydromaleate

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 130187-62-1

System Generated Number

  • 0130187621

Molecular Formulas

Molecular Formula

  • C24-H36-N6-O2.C4-H4-O4

Molecular Formula Fragments

  • C24-H36-N6-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36N6O2.C4H4O4/c1-5-7-15-29(16-8-6-2)17-14-25-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)18-19-12-10-9-11-13-19;5-3(6)1-2-4(7)8/h9-13H,5-8,14-18H2,1-4H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OHKJMYCLEVMQKJ-WLHGVMLRSA-N

Smiles

CCCCN(CCCC)CCNc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)n2C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 128mg/kg (128mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 385, 1989.