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Substance Name: Oxythiamine
RN: 136-16-3
UNII: 1MF36SYZ22
InChIKey: SRDGSXVLAVRBLU-UHFFFAOYSA-O

Note

  • Thiamine antagonist, antimetabolite.

Molecular Formula

  • C12-H16-N3-O2-S.Cl

Molecular Weight

  • 266.3434
 

Classification Codes

  • Antimetabolites
  • Drug / Therapeutic Agent
  • Noxae
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Oxythiamine

MeSH Heading

  • Oxythiamine

Synonyms

  • 5-(2-Hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-thiazolium
  • BRN 4153910
  • Hydroxythiamine
  • Oxythiamin
  • Oxythiamine
  • Oxythiamine chloride
  • UNII-1MF36SYZ22

Systematic Names

  • Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • Thiazolium, 5-(2-hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 136-16-3

FDA UNII

  • 1MF36SYZ22

System Generated Number

  • 0000136163

Molecular Formulas

Molecular Formula

  • C12-H16-N3-O2-S.Cl

Molecular Formula Fragments

  • C12-H16-N3-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1

InChIKey

SRDGSXVLAVRBLU-UHFFFAOYSA-O

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1430mg/kg (1430mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 848, 1982.