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Substance Name: 8-(2-Cyclohexylethyl)-theophylline
RN: 5426-90-4
UNII: F1IYT4T0UG
InChIKey: VKORYKNVGDXUOK-UHFFFAOYSA-N

Molecular Formula

  • C15-H22-N4-O2

Molecular Weight

  • 290.3648
 
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Names and Synonyms

Name of Substance

  • 8-(2-Cyclohexylethyl)-theophylline

Synonyms

  • 8-(beta-Cyclohexylethyl)theophylline
  • NSC 14399
  • UNII-F1IYT4T0UG

Systematic Name

  • Theophylline, 8-(2-cyclohexylethyl)-

Registry Numbers

CAS Registry Number

  • 5426-90-4

FDA UNII

  • F1IYT4T0UG

System Generated Number

  • 0005426904

Structure Descriptors

InChI

1S/C15H22N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,16,17)

InChIKey

VKORYKNVGDXUOK-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)CCC3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04359,