Basic information
- CAS
20166-17-0- Standard SMILES
Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1- InChIKey
QNJSQRKKBAWIPT-UHFFFAOYSA-N- Molecular formula
- C12H16ClN4S+
- Average molar mass
- 283.8 g/mol
- Monoisotopic mass
- 283.0784204
Names & identifiers
- Preferred name
- 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium
- IUPAC
- 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine
- English name
- beclotiamine
- Molecular formula
- C12H16ClN4S+
- Molecular weight
- 283.80024
Names & synonyms
20166-17-03-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-iumBECLOTIAMINE ION5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-CHLOROETHYL)-4-METHYL-1,3-THIAZOL-3-IUMCHLOROTHIAMINE IONUNII-4W25FR6CGBCHEMBL2110639SCHEMBL24787578SCHEMBL29733080CHLOROTHIAMINE [EP IMPURITY]IA181779
Show more names
Thiamine Impurity 3Thiamine Impurity-C(salt)3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-chloroethyl)-4-methylthiazol-3-iumThiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxide
THIAMINE NITRATE IMPURITY C [EP IMPURITY]THIAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYLTHIAZOLIUM
Database identifiers
- CAS
20166-17-0- PubChem CID
- 71859
- ChEMBL
CHEMBL2110639- UNII
- 4W25FR6CGB
- Nikkaji
- J239.705F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 268
Physicochemical properties
- FDA UNII
- 4 W25FR6CGB · 4W25FR6CGB
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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