Basic information
- CAS
13471-78-8- Standard SMILES
Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1.[Cl-]- InChIKey
BPEQAFGUCPPRIB-UHFFFAOYSA-M- Molecular formula
- C12H16Cl2N4S
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 318.0472731
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Beclotiamine
- IUPAC
- 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine chloride
- English name
- Beclotiamine
- Molecular formula
- C12H16Cl2N4S
- Molecular weight
- 319.25324
Names & synonyms
Beclotiamine13471-78-8BeclotiaminaBeclotiaminum858M12945SChloroethyl thiaminebeclotiamine chloride3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxideRefChem:1168644W25FR6CGBThiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-Beclotiamine [INN]
Show more names
BeclotiaminVitamin B1 Impurity 35-β-ChlorethylthiaMine
5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine;chlorideChlorethylthiamine3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methylthiazolium chloride5-beta-ChlorethylthiamineBeclotiaminum [INN-Latin]Beclotiamina [INN-Spanish]UNII-858M12945SCROTOXIN
Database identifiers
- CAS
13471-78-8- PubChem CID
- 71858
- DTXSID
DTXSID40928719- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- FDA UNII
- 858 M12945S · 858M12945S
Chemistry & industry
Applications
UsesBeclotiamine is a Thiamine based compound that acts as a thiamine antagonist. Beclotiamine is used as a coccidiostatic.
Suppliers7 total
凯试(上海)科技有限公司021-50135380 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州牌牌生物科技有限公司+86-13602409664 +86-17788709170 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…