2-Carbamoylphenyl Thiamine Monophosphate
[CAS# 79929-28-5]

Identification

• Name: 2-Carbamoylphenyl Thiamine Monophosphate
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl (2-Carbamoylphenyl) Hydrogen Phosphate Bromide; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl (2-Carbamoylphenyl) Hydrogen Phosphate Bromide; (2-Aminocarbonylphenyl) 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl Hydrogen Phosphate Bromide
• Molecular Formula: C₁₉H₂₃BrN₅O₅PS
• Molecular Weight: 544.36
• CAS Registry Number: 79929-28-5
• SMILES: C1=[N+](C(=C(S1)CCO[P](OC2=CC=CC=C2C(=O)N)(O)=O)C)CC3=CN=C(N=C3N)C.[Br-]
• InChI: 1S/C19H22N5O5PS.BrH/c1-12-17(31-11-24(12)10-14-9-22-13(2)23-18(14)20)7-8-28-30(26,27)29-16-6-4-3-5-15(16)19(21)25;/h3-6,9,11H,7-8,10H2,1-2H3,(H4-,20,21,22,23,25,26,27);1H
• InChIKey: OIFBQWGRIPEFAT-UHFFFAOYSA-N