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Substance Name: Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-
RN: 19800-79-4
InChIKey: LVZHNCNPYSPMAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N6-O3

Molecular Weight

  • 294.3132
 
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Names and Synonyms

Synonyms

  • 5-26-18-00550 (Beilstein Handbook Reference)
  • 7-Allyl-8-(1-(2-hydroxyethyl)hydrazino)theophylline
  • BRN 1031043
  • N-(beta-Hydroksyetylo)-N-(7-alliloteofilinylo-8)-hydrazyna
  • N-(beta-Hydroksyetylo)-N-(7-alliloteofilinylo-8)-hydrazyna [Polish]
  • N-(beta-Hydroxyethyl)-N-(7-allyltheophyllinyl-8)-hydrazine

Systematic Name

  • Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-

Registry Numbers

CAS Registry Number

  • 19800-79-4

System Generated Number

  • 0019800794

Structure Descriptors

InChI

1S/C12H18N6O3/c1-4-5-17-8-9(14-11(17)18(13)6-7-19)15(2)12(21)16(3)10(8)20/h4,19H,1,5-7,13H2,2-3H3

InChIKey

LVZHNCNPYSPMAV-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc(N(N)CCO)n(CC=C)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 105mg/kg (105mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 189, 1970.