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Substance Name: Beclotiamine [INN]
RN: 13471-78-8
UNII: 858M12945S
InChIKey: BPEQAFGUCPPRIB-UHFFFAOYSA-M

Molecular Formula

  • C12-H16-Cl-N4-S.Cl

Molecular Weight

  • 319.258
 
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Names and Synonyms

Name of Substance

  • Beclotiamine
  • Beclotiamine [INN]

Synonyms

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methylthiazolium chloride
  • 5-beta-Chlorethylthiamine
  • Beclotiamina
  • Beclotiamina [INN-Spanish]
  • Beclotiamine
  • Beclotiaminum
  • Beclotiaminum [INN-Latin]
  • Chlorethylthiamine
  • UNII-858M12945S

Systematic Names

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methylthiazolium chloride
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 13471-78-8

FDA UNII

  • 858M12945S

Related Registry Number

  • 20166-17-0 (Parent)

System Generated Number

  • 0013471788

Molecular Formulas

Molecular Formula

  • C12-H16-Cl-N4-S.Cl

Molecular Formula Fragments

  • C12-H16-Cl-N4-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16ClN4S.ClH/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);1H/q+1;/p-1

InChIKey

BPEQAFGUCPPRIB-UHFFFAOYSA-M

Smiles

c1([n+](csc1CCCl)Cc1cnc(nc1N)C)C.[ClH-]