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Substance Name: Theophylline, 7-(2,3-dihydroxypropyl)-8-(2-(3-oxo-2-indolinylene)hydrazino)-
RN: 102367-55-5
InChIKey: RMXRPDONQAQPEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N7-O5

Molecular Weight

  • 413.3921
 
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Names and Synonyms

Synonym

  • 7-(2,3-Dihydroxypropyl)-8-(2-(3-oxo-2-indolinylene)hydrazino)theophylline

Systematic Name

  • Theophylline, 7-(2,3-dihydroxypropyl)-8-(2-(3-oxo-2-indolinylene)hydrazino)-

Registry Numbers

CAS Registry Number

  • 102367-55-5

System Generated Number

  • 0102367555

Structure Descriptors

InChI

1S/C18H19N7O5/c1-23-15-12(16(29)24(2)18(23)30)25(7-9(27)8-26)17(20-15)22-21-14-13(28)10-5-3-4-6-11(10)19-14/h3-6,9,26-27H,7-8H2,1-2H3,(H,20,22)(H,19,21,28)

InChIKey

RMXRPDONQAQPEF-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NN=C3C(=O)c4ccccc4N3)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 187mg/kg (187mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Pharmaceutical Chemistry Journal Vol. 15, Pg. 407, 1981.