Name: Thiamine monochloride-13C4 hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-000242

CAS: 1257525-77-1

Molecular Formula: C813C4H18Cl2N4OS

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	Thiamine-(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride;1257525-77-1;Thiamine monochloride-C13 (hydrochloride);HY-N0680S;CS-0129231;Thiamine-(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride, 99 atom % 13C, 98% (CP);
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(113C)methyl-(2,4,5-13C3)1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Related CAS	67-03-8 (unlabelled)
Canonical SMILES	[13CH3][13C]([N+](CC(C(N)=N1)=CN=C1C)=[13CH]S2)=[13C]2CCO.[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	Please store the product under the recommended conditions in the Certificate of Analysis.