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Substance Name: Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate
RN: 70299-74-0
InChIKey: HPPXNINUAWOODO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H29-N6-O5-P

Molecular Weight

  • 416.4161
 
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Names and Synonyms

Synonyms

  • BRN 4040685
  • N-Methyl N-theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle
  • N-Methyl N-theophyllinyl-7' ethylamidophosphate de (trimethylammonium-3) propyle [French]

Systematic Name

  • Ammonium, (3-hydroxypropyl)trimethyl-, ester with N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphoramidate

Registry Numbers

CAS Registry Number

  • 70299-74-0

System Generated Number

  • 0070299740

Structure Descriptors

InChI

1S/C16H29N6O5P/c1-18(28(25,26)27-11-7-10-22(4,5)6)8-9-21-12-17-14-13(21)15(23)20(3)16(24)19(14)2/h12H,7-11H2,1-6H3

InChIKey

HPPXNINUAWOODO-UHFFFAOYSA-N

Smiles

CN(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 1500mg/kg (1500mg/kg)   Annales Pharmaceutiques Francaises. Vol. 36, Pg. 409, 1978.