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

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CAS#: 83661-65-8
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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 Structure CAS#: 83661-65-8, Thiamine Indole-3-Propionate
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
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