Beclotiamine Hydrochloride - CAS 7275-24-3

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Catalog Number: R055687

CAS Number: 7275-24-3

PubChem Substance ID:355146066

Molecular Formula: C12H17Cl3N4S

Molecular Weight:355.706

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-chloroethyl)-4-methylthiazolium Chloride Hydrochloride; 5-β-Chlorethylthiamine Hydrochloride;

Property

Molecular Formula: C12H17Cl3N4S
Molecular Weight355.706
Purity≥95%
StorageStore at -20C

Computed Descriptor

IUPAC Name5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine;chloride;hydrochloride
InChIInChI=1S/C12H16ClN4S.2ClH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1
InChIKeyNFISUTDHQOVXQP-UHFFFAOYSA-M
SMILESCC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCCl.Cl.[Cl-]