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Substance Name: Theophylline, 7-(2-(methylsulfinyl)ethyl)-
RN: 3736-06-9
InChIKey: HNYORSFHUYNBPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O2-S

Molecular Weight

  • 270.3116
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylsulfinyl)ethyl)-
  • 7-(2-(Methylsulfinyl)ethyl)theophylline
  • T(sub 31)

Systematic Name

  • Theophylline, 7-(2-(methylsulfinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 3736-06-9

System Generated Number

  • 0003736069

Structure Descriptors

InChI

1S/C10H14N4O3S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-5-18(3)17/h6H,4-5H2,1-3H3

InChIKey

HNYORSFHUYNBPJ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCS(=O)C)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1350mg/kg (1350mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Archivum Immunologiae et Therapiae Experimentalis. Vol. 10, Pg. 141, 1962.