2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7ebcc31f5e5849278fb9e3769d5fd46e.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride
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CAS No:
62324-27-0
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Formula:
C19H30Cl2N4O5S
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Chemical Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride
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Synonyms:
2-(alpha-hydroxybenzyl)thiamine chloride;62324-27-0;2-(alpha-Hydroxybenzyl)thiamine chloride;DTXSID90977878;5-(2-Hydroxyethyl)-2-[hydroxy(phenyl)methyl]-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride--hydrogen chloride--water (1/1/1/3);Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-2-(hydroxyphenylmethyl)-4-methyl-, chloride, monohydrochloride, trihydrate, (+-)-
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CAS No:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;trihydrate;hydrochloride Basic Attributes
497.4 g/mol
496.1313966 g/mol
Computed Properties
Molecular Weight:497.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:496.1313966
Monoisotopic Mass:496.1313966
Topological Polar Surface Area:127
Heavy Atom Count:31
Complexity:438
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:6
Compound Is Canonicalized:Yes
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