2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2461ccdcd39d4449a515bda40f419122.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride
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CAS No:
83661-65-8
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Formula:
C23H26ClN5O2S
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Chemical Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride
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Synonyms:
thiamine indole-3-propionate;TI-3-P;83661-65-8;Thiamine indole-3-propionate;TI-3-P;DTXSID201003669;3-[(6-Imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-5-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(3-(1H-indol-3-yl)-1-oxopropoxy)ethyl)-4-methyl-, perchlorate, monoperchlorate, compd. with methanol (1:1)
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CAS No:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride Basic Attributes
472.0 g/mol
471.1495740 g/mol
Computed Properties
Molecular Weight:472.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:471.1495740
Monoisotopic Mass:471.1495740
Topological Polar Surface Area:126
Heavy Atom Count:32
Complexity:596
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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