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Substance Name: Thiazolium, 3-((4-(dibutylamino)-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride
RN: 54690-41-4
InChIKey: LSOMRFPIYXYVTB-KKTFQPMKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-N4-O-S.Cl

Molecular Weight

  • 670.8314
 
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Names and Synonyms

Synonyms

  • Bisbutitiamine
  • Bisbutyl thiamine
  • Bisbutythiamin

Systematic Name

  • Thiazolium, 3-((4-(dibutylamino)-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 54690-41-4

System Generated Number

  • 0054690414

Molecular Formulas

Molecular Formula

  • C20-H33-N4-O-S.Cl

Molecular Formula Fragments

  • C20-H33-N4-O-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C32H46N8O6S/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+

InChIKey

LSOMRFPIYXYVTB-KKTFQPMKSA-N

Smiles

CCCC(=O)OCC/C(=C(/C)\N(Cc1cnc(nc1N)C)C=O)/S/C(=C(/C)\N(Cc2cnc(nc2N)C)C=O)/CCOC(=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 240mg/kg (240mg/kg)   Drugs in Japan Vol. 6, Pg. 608, 1982.
mouse LD50 subcutaneous 1800mg/kg (1800mg/kg)   Drugs in Japan Vol. 6, Pg. 608, 1982.