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Substance Name: Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)
RN: 126480-52-2
InChIKey: OOMFUSNVMFUEBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N6-O3.Cl-H.H2-O

Molecular Weight

  • 342.7851
 
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Names and Synonyms

Synonym

  • 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate

Systematic Name

  • Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 126480-52-2

System Generated Number

  • 0126480522

Molecular Formulas

Molecular Formula

  • C13-H18-N6-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C13-H18-N6-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H18N6O3.ClH/c1-16-11-10(12(20)17(2)13(16)21)19(8-15-11)7-9(14)18-3-5-22-6-4-18;/h8,14H,3-7H2,1-2H3;1H

InChIKey

OOMFUSNVMFUEBL-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2ncn(CC(=N)N3CCOCC3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54mg/kg (54mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 849, 1989.