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Thiamine-[13C4] hydrochloride

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General Information
Catalog: BLP-000242
CAS: 1257525-77-1
Molecular Formula: C8[13C]4H18Cl2N4OS
Molecular Weight: 341.24

Chemical Structure

Description	Thiamine-[13C4] hydrochloride, is the labelled analogue of Thiamine. Thiamine or vitamin B1 is a water-soluble vitamin of the B complex, its phosphate derivatives are involved in many cellular processes.
Synonyms	Vitamin B1(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride; Thiamine-(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride; Thiamine hydrochloride-(4-methyl-13C-thiazol-5-yl-13C3)
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(1-13C)methyl-(2,4,5-13C3)1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Related CAS	67-03-8 (unlabelled)
Canonical SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
InChI	InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1/i1+1,7+1,8+1,11+1;;
InChI Key	DPJRMOMPQZCRJU-VJFONHOHSA-M
Melting Point	250 °C (dec) (lit.)
Purity	98% (CP); 99% atom 13C
Appearance	Solid
Storage	Store at -20°C