2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride;hydrochloride
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bffa12da65de48018e01e03c1723d66e.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride;hydrochloride")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride;hydrochloride
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CAS No:
23883-45-6
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Formula:
C12H20Cl2N4O7P2S
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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 phosphono hydrogen phosphate;chloride;hydrochloride
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Synonyms:
Cocarboxylase hydrochloride;UNII-U9TBV3W359;Cocarboxylase chloride hydrochloride;23883-45-6;U9TBV3W359;Cocarboxylase monohydrochloride;thiamine pyrophosphate hydrochloride;Thiamine diphosphate hydrochloride;Thiamine diphosphate HCl;Thiamine, diphosphoric hydrochloride ester;Bivitasi (TN);Cocarboxylase dihydrochloride;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium chloride, monohydrochloride;SCHEMBL991343;DTXSID4058736;Thiamine, trihydrogen pyrophosphate (ester), monohydrochloride;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, monohydrochloride;D07739;Q27290973
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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 phosphono hydrogen phosphate;chloride;hydrochloride Basic Attributes
497.2 g/mol
495.9904995 g/mol
U9TBV3W359
DTXSID4058736
Computed Properties
Molecular Weight:497.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:495.9904995
Monoisotopic Mass:495.9904995
Topological Polar Surface Area:197
Heavy Atom Count:28
Complexity:568
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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