Thiamine monophosphate disulfide

CAS Registry Number®

992-46-1

CAS Name

Thiamine monophosphate disulfide

Molecular Formula

C24H36N8O10P2S2

Molecular Mass

722.67

Cite this Page

Thiamine monophosphate disulfide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=992-46-1 (retrieved 2024-11-24) (CAS RN: 992-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=HKQKYZRQBYBWSZ-UHFFFAOYSA-N

SMILES

C(N(C(=C(SSC(=C(N(CC=1C(N)=NC(C)=NC1)C=O)C)CCOP(=O)(O)O)CCOP(=O)(O)O)C)C=O)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=CN(C(=C(SSC(=C(N(C=O)CC1=CN=C(N=C1N)C)C)CCOP(=O)(O)O)CCOP(=O)(O)O)C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Formamide, N,N′-[dithiobis[1-methyl-2-[2-(phosphonooxy)ethyl]-2,1-ethenediyl]]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)
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, bis(dihydrogen phosphate)
  • N,N′-[Dithiobis[1-methyl-2-[2-(phosphonooxy)ethyl]-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide]
  • Thiamine monophosphate disulfide

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