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Substance Name: Oxythiamine disulfide monosulfoxide
RN: 129228-57-5
InChIKey: MGJFQANYAQBYHO-BMJUYKDLSA-N

Molecular Formula

  • C24-H32-N6-O7-S2

Molecular Weight

  • 580.684
 
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Names and Synonyms

Name of Substance

  • Oxythiamine disulfide monosulfoxide

Synonyms

  • N-((1,4-Dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(2-(((2-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)sulfinyl)thio)-4-hydroxy-1-methyl-1-butenyl)formamide
  • OTDMS

Systematic Name

  • Formamide, N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-N-(2-(((2-(((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)sulfinyl)thio)-4-hydroxy-1-methyl-1-butenyl)-

Registry Numbers

CAS Registry Number

  • 129228-57-5

System Generated Number

  • 0129228575

Structure Descriptors

InChI

1S/C24H32N6O7S2/c1-15(29(13-33)11-19-9-25-17(3)27-23(19)35)21(5-7-31)38-39(37)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

MGJFQANYAQBYHO-BMJUYKDLSA-N

Smiles

C(=O)N(C(=C(/CCO)S[S@@](=O)C(=C(/C)N(C=O)Cc1c(nc([nH]c1)C)=O)\CCO)\C)Cc1c(nc([nH]c1)C)=O