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Substance Name: Oxythiamine disulfide nicotinate
RN: 144722-72-5
InChIKey: DQCFFVJSPGNCNI-FNKNYVMZSA-N

Note

  • Thiamine antagonist.

Molecular Formula

  • C36-H38-N8-O8-S2

Molecular Weight

  • 774.876
 
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Names and Synonyms

Name of Substance

  • Oxythiamine disulfide nicotinate

Synonyms

  • Dithiobis(3-(1-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)ethylidene)-3,1-propanediyl) 3-pyridinecarboxylate
  • Oxythiamine disulphide nikotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, dithiobis(3-(1-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)ethylidene)-3,1-propanediyl) ester

Registry Numbers

CAS Registry Number

  • 144722-72-5

System Generated Number

  • 0144722725

Structure Descriptors

InChI

1S/C36H38N8O8S2/c1-23(43(21-45)19-29-17-39-25(3)41-33(29)47)31(9-13-51-35(49)27-7-5-11-37-15-27)53-54-32(10-14-52-36(50)28-8-6-12-38-16-28)24(2)44(22-46)20-30-18-40-26(4)42-34(30)48/h5-8,11-12,15-18,21-22H,9-10,13-14,19-20H2,1-4H3,(H,39,41,47)(H,40,42,48)/b31-23-,32-24+

InChIKey

DQCFFVJSPGNCNI-FNKNYVMZSA-N

Smiles

S(SC(\CCOC(=O)c1cnccc1)=C(/C)N(C=O)Cc1c(nc([nH]c1)C)=O)C(\CCOC(=O)c1cnccc1)=C(\C)N(C=O)Cc1c(nc([nH]c1)C)=O