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Substance Name: Thiamine disulfide phosphate
RN: 992-46-1
UNII: HIX040UVAZ
InChIKey: HKQKYZRQBYBWSZ-BMJUYKDLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-N8-O10-P2-S2

Molecular Weight

  • 722.6744
 
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Names and Synonyms

Name of Substance

  • Thiamine disulfide phosphate

Synonyms

  • 4-25-00-02932 (Beilstein Handbook Reference)
  • Biotinin
  • BRN 0077276
  • Thiamine monophosphate disulfide
  • Thiamine-O-monophosphate disulfide
  • Tmpds
  • UNII-HIX040UVAZ
  • Vitamogen

Systematic Names

  • Formamide, N,N'-(dithiobis(1-methyl-2-(2-(phosphonooxy)ethyl)-2,1-ethanediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-
  • Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, bis(dihydrogen phosphate) (ester)

Registry Numbers

CAS Registry Number

  • 992-46-1

FDA UNII

  • HIX040UVAZ

System Generated Number

  • 0000992461

Structure Descriptors

InChI

1S/C24H36N8O10P2S2/c1-15(31(13-33)11-19-9-27-17(3)29-23(19)25)21(5-7-41-43(35,36)37)45-46-22(6-8-42-44(38,39)40)16(2)32(14-34)12-20-10-28-18(4)30-24(20)26/h9-10,13-14H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)(H2,35,36,37)(H2,38,39,40)/b21-15-,22-16-

InChIKey

HKQKYZRQBYBWSZ-BMJUYKDLSA-N

Smiles

C\C(=C(/CCOP(=O)(O)O)\SS\C(=C(\C)/N(Cc1cnc(C)nc1N)C=O)\CCOP(=O)(O)O)\N(Cc2cnc(C)nc2N)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2500mg/kg (2500mg/kg)   Drugs in Japan Vol. 6, Pg. 451, 1982.
mouse LD50 subcutaneous > 2500mg/kg (2500mg/kg)   Drugs in Japan Vol. 6, Pg. 451, 1982.