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Substance Name: 2-(alpha-Hydroxybenzyl)thiamine chloride
RN: 62324-27-0
InChIKey: RHNQTKMBTPCWAP-UHFFFAOYSA-M

Molecular Weight

  • 497.441
 
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Names and Synonyms

Name of Substance

  • 2-(alpha-Hydroxybenzyl)thiamine chloride

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-2-(hydroxyphenylmethyl)-4-methyl-, chloride, monohydrochloride, trihydrate, (+-)-

Registry Numbers

CAS Registry Number

  • 62324-27-0

System Generated Number

  • 0062324270

Structure Descriptors

InChI

1S/C19H23N4O2S.2ClH.3H2O/c1-12-16(8-9-24)26-19(17(25)14-6-4-3-5-7-14)23(12)11-15-10-21-13(2)22-18(15)20;;;;;/h3-7,10,17,24-25H,8-9,11H2,1-2H3,(H2,20,21,22);2*1H;3*1H2/q+1;;;;;/p-1

InChIKey

RHNQTKMBTPCWAP-UHFFFAOYSA-M

Smiles

s1c([n+](Cc2c(nc(nc2)C)N)c(c1CCO)C)[C@@H](c1ccccc1)O.[ClH-].O.Cl.O.O