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Substance Name: 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt
RN: 70299-75-1
InChIKey: YDOOMPPCSBGLTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H31-N6-O5-P

Molecular Weight

  • 430.4429
 
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Names and Synonyms

Synonyms

  • BRN 4042880
  • N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle
  • N-Ethyl-N-theophyllinyl-7'-ethylamidophosphate de (trimethylammonium-3)propyle [French]

Systematic Name

  • 1-Propanaminium, 3-(((ethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)amino)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 70299-75-1

System Generated Number

  • 0070299751

Structure Descriptors

InChI

1S/C17H31N6O5P/c1-7-22(29(26,27)28-12-8-11-23(4,5)6)10-9-21-13-18-15-14(21)16(24)20(3)17(25)19(15)2/h13H,7-12H2,1-6H3

InChIKey

YDOOMPPCSBGLTG-UHFFFAOYSA-N

Smiles

CCN(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)P(=O)([O-])OCCC[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   Annales Pharmaceutiques Francaises. Vol. 36, Pg. 409, 1978.