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Substance Name: Beclotiamine
RN: 20166-17-0
InChIKey: QNJSQRKKBAWIPT-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-Cl-N4-S

Molecular Weight

  • 283.805
 
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Names and Synonyms

Name of Substance

  • Beclotiamine

Systematic Names

  • 3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxide
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 20166-17-0

Related Registry Number

  • 13471-78-8 (chloride)

System Generated Number

  • 0020166170

Structure Descriptors

InChI

1S/C12H16ClN4S/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)/q+1

InChIKey

QNJSQRKKBAWIPT-UHFFFAOYSA-N

Smiles

[n+]1(csc(c1C)CCCl)Cc1cnc(nc1N)C