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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)methylamino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride
RN: 98402-29-0
InChIKey: KEJXHAAPNHDSDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N6-O3.Cl-H

Molecular Weight

  • 370.8387
 
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Names and Synonyms

Synonym

  • 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)methylamino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 98402-29-0

System Generated Number

  • 0098402290

Molecular Formulas

Molecular Formula

  • C15-H22-N6-O3.Cl-H

Molecular Formula Fragments

  • C15-H22-N6-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22N6O3.ClH/c1-18(11-5-4-6-16-11)7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2;/h9-10,22H,4-8H2,1-3H3;1H

InChIKey

KEJXHAAPNHDSDN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(C)C3=NCCC3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 307, 1984.