Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
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![Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fbbd4d148bc34e1e8720a8660921bf4a.png "Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)")
Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
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CAS No:
614-05-1
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Formula:
C12H16N3O2S.ClH.Cl
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Chemical Name:
Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
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Synonyms:
Thiazolium,3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,chloride,hydrochloride (1:1:1);Thiazolium,5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methyl-,chloride,monohydrochloride;Thiazolium,3-[(1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,chloride,monohydrochloride;5-(2-Hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium chloride,hydrochloride;Thiazolium,5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methyl-,chloride,hydrochloride;Thiazolium,5-(2-hydroxyethyl)-3-(4-hydroxy-2-methyl-5-pyrimidylmethyl)-4-methyl-,chloride,-HCl;Oxythiamine chloride hydrochloride;Hydroxythiamine chloride hydrochloride;142474-89-3
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CAS No:
Description
ChEBI: A hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid.
Oxythiamine chloride hydrochloride is a hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid. It has a role as an antimetabolite and a vitamin B1 antagonist. It contains an oxythiamine chloride.|Thiamine antagonist, antimetabolite.
Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1) Basic Attributes
351.25200
350.03700
HM0RL1Q94J
2934100090
Characteristics
107.56000
-0.77060
-20ºC
157.7 Ų [M]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Drug Information
Drugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Antimetabolites.)
Hydroxythiamine
Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1) Use and Manufacturing
thiamine antagonist
Computed Properties
Molecular Weight:338.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:337.0418534
Monoisotopic Mass:337.0418534
Topological Polar Surface Area:93.8
Heavy Atom Count:20
Complexity:395
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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Thiazolium, 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
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