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Substance Name: Theophylline, 8-anilino-7-(2,3-dihydroxypropyl)-
RN: 78960-47-1
InChIKey: ZXTVYYARXMAMBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N5-O4

Molecular Weight

  • 345.3571
 
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Names and Synonyms

Synonyms

  • 8-Anilino-7-(2,3-dihydroxypropyl)theophylline
  • BRN 4582805

Systematic Name

  • Theophylline, 8-anilino-7-(2,3-dihydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 78960-47-1

System Generated Number

  • 0078960471

Structure Descriptors

InChI

1S/C16H19N5O4/c1-19-13-12(14(24)20(2)16(19)25)21(8-11(23)9-22)15(18-13)17-10-6-4-3-5-7-10/h3-7,11,22-23H,8-9H2,1-2H3,(H,17,18)

InChIKey

ZXTVYYARXMAMBL-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Nc3ccccc3)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 485mg/kg (485mg/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.