Thiamine Indole-3-Propionate
[CAS# 83661-65-8]

Identification

• Name: Thiamine Indole-3-Propionate
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl 3-(1H-Indol-3-Yl)Propanoate Chloride; 3-(1H-Indol-3-Yl)Propanoic Acid 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl Ester Chloride; 3-(1H-Indol-3-Yl)Propionic Acid 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Ester Chloride
• Molecular Formula: C₂₃H₂₆ClN₅O₂S
• Molecular Weight: 472.00
• CAS Registry Number: 83661-65-8
• SMILES: C1=[N+](C(=C(S1)CCOC(=O)CCC2=C[NH]C3=C2C=CC=C3)C)CC4=C(N=C(N=C4)C)N.[Cl-]
• InChI: 1S/C23H26N5O2S.ClH/c1-15-21(31-14-28(15)13-18-12-25-16(2)27-23(18)24)9-10-30-22(29)8-7-17-11-26-20-6-4-3-5-19(17)20;/h3-6,11-12,14,26H,7-10,13H2,1-2H3,(H2,24,25,27);1H/q+1;/p-1
• InChIKey: KRXFUVUEJRVANS-UHFFFAOYSA-M