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Substance Name: Thiamine thiazolone
RN: 490-82-4
InChIKey: VXCONGLPCAPYEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N4-O2-S

Molecular Weight

  • 280.35
 
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Names and Synonyms

Name of Substance

  • Thiamine thiazolone

Synonyms

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolin-2-one
  • 3-((4-Amino-2-metil-5-pirimidinil)metil)-5-(2-idrossietil)-4-metiltiazolin-2-one
  • 3-((4-Amino-2-metil-5-pirimidinil)metil)-5-(2-idrossietil)-4-metiltiazolin-2-one [Italian]
  • 4-27-00-03500 (Beilstein Handbook Reference)
  • 4-Thiazolin-2-one, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • BRN 0310984
  • EINECS 207-719-0
  • Thiaminthiazolone
  • Tiamintiazolone
  • Tiamintiazolone [Italian]

Systematic Names

  • (3H)-Thiazolone, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one

Registry Numbers

CAS Registry Number

  • 490-82-4

System Generated Number

  • 0000490824

Structure Descriptors

InChI

1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

InChIKey

VXCONGLPCAPYEU-UHFFFAOYSA-N

Smiles

c1(ncc(Cn2c(sc(c2C)CCO)=O)c(n1)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730mg/kg (730mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA
Farmaco, Edizione Pratica. Vol. 23, Pg. 69, 1968.
rabbit LD intravenous > 100mg/kg (100mg/kg)   Farmaco, Edizione Pratica. Vol. 23, Pg. 69, 1968.
rat LD50 intravenous 530mg/kg (530mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
Farmaco, Edizione Pratica. Vol. 23, Pg. 69, 1968.