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Substance Name: metet
RN: 3736-05-8
InChIKey: JRAVCFJEITZUQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O2-S

Molecular Weight

  • 254.3126
 
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Names and Synonyms

Name of Substance

  • Metet

Synonyms

  • 5-26-14-00044 (Beilstein Handbook Reference)
  • 7-(beta-Methylthioethyl)theophylline
  • 7-(beta-Metylotioetylo)-teofilina
  • 7-(beta-Metylotioetylo)-teofilina [Polish]
  • BRN 0263350
  • Metet

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylthio)ethyl)- (9CI)
  • Theophylline, 7-(2-(methylthio)ethyl)-

Registry Numbers

CAS Registry Number

  • 3736-05-8

System Generated Number

  • 0003736058

Structure Descriptors

InChI

1S/C10H14N4O2S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-5-17-3/h6H,4-5H2,1-3H3

InChIKey

JRAVCFJEITZUQS-UHFFFAOYSA-N

Smiles

CSCCn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 422mg/kg (422mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 199, 1970.
mouse LD50 oral 550mg/kg (550mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 199, 1970.
mouse LD50 subcutaneous 1780mg/kg (1780mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 199, 1970.