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Substance Name: 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 3-pyridinylmethyl ester,monohydrochloride
RN: 38953-18-3
InChIKey: TWLYHAYCGQAQJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N5-O4.Cl-H

Molecular Weight

  • 365.7754
 
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Names and Synonyms

Synonyms

  • MP 6
  • Theophylline 7 acetate de nicotinol HCl
  • Theophylline 7 acetate de nicotinol HCl [French]
  • Theophyllinyl-7 ethanoate de pyridine-3 methanol chlorhydrate
  • Theophyllinyl-7 ethanoate de pyridine-3 methanol chlorhydrate [French]

Systematic Name

  • 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 3-pyridinylmethyl ester,monohydrochloride

Registry Numbers

CAS Registry Number

  • 38953-18-3

System Generated Number

  • 0038953183

Molecular Formulas

Molecular Formula

  • C15-H15-N5-O4.Cl-H

Molecular Formula Fragments

  • C15-H15-N5-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15N5O4.ClH/c1-18-13-12(14(22)19(2)15(18)23)20(9-17-13)7-11(21)24-8-10-4-3-5-16-6-10;/h3-6,9H,7-8H2,1-2H3;1H

InChIKey

TWLYHAYCGQAQJW-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)OCc3cccnc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 210mg/kg (210mg/kg)   French Demande Patent Document. Vol. #2096978,
mouse LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2096978,
rat LD50 oral 6800mg/kg (6800mg/kg)   French Demande Patent Document. Vol. #2101120,