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Substance Name: Theophylline, 7-hydroxymethyl-, nitrate, (salt)
RN: 63906-68-3
InChIKey: ZMANXGDEWNPXFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N4-O2.N-O3

Molecular Weight

  • 273.204
 
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Names and Synonyms

Synonyms

  • 7-Hydroxycaffeine nitrate
  • Xanthine, 1,3-dimethyl-7-hydroxymethyl-, nitrate (salt)

Systematic Name

  • Theophylline, 7-hydroxymethyl-, nitrate, (salt)

Registry Numbers

CAS Registry Number

  • 63906-68-3

System Generated Number

  • 0063906683

Molecular Formulas

Molecular Formula

  • C8-H9-N4-O2.N-O3

Molecular Formula Fragments

  • C8-H9-N4-O2
  • COMPONENT
  • N-O3

Structure Descriptors

InChI

1S/C8H10N4O3.HNO3/c1-10-6-5(12(4-13)3-9-6)7(14)11(2)8(10)15;2-1(3)4/h3,13H,4H2,1-2H3;(H,2,3,4)

InChIKey

ZMANXGDEWNPXFF-UHFFFAOYSA-N

Smiles

c1(n(C)c(=O)c2c(ncn2CO)n1C)=O.[N+](O)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 250mg/kg (250mg/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.