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Substance Name: Oxythiamine disulfide
RN: 134028-70-9
InChIKey: ZZMATIJKHGBBLK-BMJUYKDLSA-N

Molecular Formula

  • C24-H32-N6-O6-S2

Molecular Weight

  • 564.6848
 
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Names and Synonyms

Name of Substance

  • Oxythiamine disulfide

Systematic Name

  • Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-

Registry Numbers

CAS Registry Number

  • 134028-70-9

System Generated Number

  • 0134028709

Structure Descriptors

InChI

1S/C24H32N6O6S2/c1-15(29(13-33)11-19-9-25-17(3)27-23(19)35)21(5-7-31)37-38-22(6-8-32)16(2)30(14-34)12-20-10-26-18(4)28-24(20)36/h9-10,13-14,31-32H,5-8,11-12H2,1-4H3,(H,25,27,35)(H,26,28,36)/b21-15-,22-16-

InChIKey

ZZMATIJKHGBBLK-BMJUYKDLSA-N

Smiles

Cc1nc(=O)c(c[nH]1)CN(/C(=C(\SS/C(=C(\N(C=O)Cc2c(=O)nc([nH]c2)C)/C)/CCO)/CCO)/C)C=O