Name: oxythiamine hydrochloride chloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218509232
Cas No:614-05-1
常用名:oxythiamine hydrochloride chloride
常用名:oxythiamine hydrochloride chloride
IUPAC:5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium hydrochloride chloride
IUPAC:5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium hydrochloride chloride
InChI key:HGYQKVVWNZFPJS-UHFFFAOYSA-N

分子式:C12H17Cl2N3O2S
分子量:338.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)[nH]c1=O
SMILES:Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)[nH]c1=O

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