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Substance Name: Theophylline, 7-(2-hydroxyethyl)-, nitrate, (ester)
RN: 63919-12-0
InChIKey: VBEOTBAFTSDSKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N4-O2.N-O3

Molecular Weight

  • 287.2307
 
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Names and Synonyms

Synonyms

  • 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine nitrate
  • 2,6(1,3)-Purinedione, 1,3-dimethyl-7-(2-hydroxyethyl)-, nitrate
  • Xanthine, 1,3-dimethyl-7-(2-hydroxyethyl)-, nitrate (ester)

Systematic Name

  • Theophylline, 7-(2-hydroxyethyl)-, nitrate, (ester)

Registry Numbers

CAS Registry Number

  • 63919-12-0

System Generated Number

  • 0063919120

Molecular Formulas

Molecular Formula

  • C9-H11-N4-O2.N-O3

Molecular Formula Fragments

  • C9-H11-N4-O2
  • COMPONENT
  • N-O3

Structure Descriptors

InChI

1S/C9H12N4O3.HNO3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;2-1(3)4/h5,14H,3-4H2,1-2H3;(H,2,3,4)

InChIKey

VBEOTBAFTSDSKS-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCO)c2C1=O.ON(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 126, 1942.