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Thiamine Monophosphate Chloride
[CAS 532-40-1]

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Identification
Name Thiamine Monophosphate Chloride
Synonyms 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Dihydrogen Phosphate Chloride; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl Dihydrogen Phosphate Chloride; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl Dihydrogen Phosphate Chloride
Molecular Structure CAS#: 532-40-1, Thiamine Monophosphate Chloride
Molecular Formula C12H18ClN4O4PS
Molecular Weight 380.79
CAS Registry Number 532-40-1
EINECS 208-536-9
SMILES C1=NC(=NC(=C1C[N+]2=CSC(=C2C)CCO[P](O)(O)=O)N)C.[Cl-]
InChI 1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
InChIKey GUGWNSHJDUEHNJ-UHFFFAOYSA-N
References
(1) Markovitsi Dimitra. Excited states and energy transfer among DNA bases in double helices, Photochemical & Photobiological Sciences, 2007
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