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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((3-(butylamino)propyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, monohydrochloride
RN: 130187-64-3
InChIKey: FVOZNLZEAWOVGT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N6-O2.Cl-H

Molecular Weight

  • 434.9689
 
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Names and Synonyms

Synonym

  • 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-((3-(butylamino)propyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130187-64-3

System Generated Number

  • 0130187643

Molecular Formulas

Molecular Formula

  • C21-H30-N6-O2.Cl-H

Molecular Formula Fragments

  • C21-H30-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N6O2.ClH/c1-4-5-12-22-13-9-14-23-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)15-16-10-7-6-8-11-16;/h6-8,10-11,22H,4-5,9,12-15H2,1-3H3,(H,23,24);1H

InChIKey

FVOZNLZEAWOVGT-UHFFFAOYSA-N

Smiles

CCCCNCCCNc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)n2C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 385, 1989.