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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate
RN: 98402-32-5
InChIKey: RCNOKSVMEYMRNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N6-O4.Cl-H.H2-O

Molecular Weight

  • 400.8645
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 98402-32-5

System Generated Number

  • 0098402325

Molecular Formulas

Molecular Formula

  • C16-H24-N6-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C16-H24-N6-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H24N6O4.ClH/c1-19-14-13(15(25)20(2)16(19)26)22(10-18-14)9-11(24)8-21(6-7-23)12-4-3-5-17-12;/h10-11,23-24H,3-9H2,1-2H3;1H

InChIKey

RCNOKSVMEYMRNV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 307, 1984.