[13C4]-Vitamin B1 hydrochloride salt

Catalog Number	ACM1257525771
CAS	1257525-77-1
Synonyms	Thiamine-13C4 hydrochloride salt
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
Molecular Weight	341.24
Molecular Formula	13C4C8H17ClN4OS·HCl
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%
Isomeric SMILES	CC1=NC=C(C(=N1)N)C[N+]2=[13CH]S[13C](=[13C]2[13CH3])CCO.Cl.[Cl-]
Isotopic Enrichment	99 atom % 13C
Stability	≥1 year

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[13C4]-Vitamin B1 hydrochloride salt (1257525-77-1)

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