Thiamine Hydrochloride Phosphate
[CAS# 16028-14-1]

Identification

• Name: Thiamine Hydrochloride Phosphate
• Synonyms: Thiamine, Dihydrogen Phosphate (Ester), Monohydrochloride, Dihydrate; Thiazolium, 3-((4-Amino-2-Methyl-5-Pyrimidinyl)Methyl)-4-Methyl-5-(2-(Phosphonooxy)Ethyl)-, Chloride, Monohydrochloride; Thiazolium, 3-((4-Amino-2-Methyl-5-Pyrimidinyl)Methyl)-4-Methyl-5-(2-(Phosphonooxy)Ethyl)-, Chloride, Monohydrochloride, Dihydrate
• Molecular Formula: C₁₄H₂₇Cl₂N₄O₄PS
• Molecular Weight: 449.33
• CAS Registry Number: 16028-14-1
• EINECS: 240-168-4
• SMILES: C.C.[H+].C([N+]1=CSC(=C1C)CCO[P](O)(O)=O)C2=CN=C(N=C2N)C.[Cl-].[Cl-]
• InChI: 1S/C12H17N4O4PS.2CH4.2ClH/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);2*1H4;2*1H
• InChIKey: KHMMMABMZJZQDE-UHFFFAOYSA-N