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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClN4S
Molecular Weight 283.8017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BECLOTIAMINE ION

SMILES

Cc1c(CCCl)sc[n+]1Cc2cnc(C)[nH]c2=N

InChI

InChIKey=QNJSQRKKBAWIPT-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C12H16ClN4S
Molecular Weight 283.8017
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Beclotiamine (or chloroethyl thiamine) had been studied for veterinary and showed anticoccidial activity against Eimeria tenella, although metabolites and related substances were inactive. Information about the nowadays application of this compound is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
[Effect of beclotiamine on the thiamine requirements of Eimeria tenella and Eimeria acervulina].
1972 Jun
Studies on the mode of action of beclotiamine on Eimeria tenella.
1978 Oct
Rapid and sensitive determination of amprolium in chicken plasma by high-performance liquid chromatography with post-column reaction.
1997 Jun 6
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 04:52:54 UTC 2021
Edited
by admin
on Sat Jun 26 04:52:54 UTC 2021
Record UNII
4W25FR6CGB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECLOTIAMINE ION
Common Name English
3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-CHLOROETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Systematic Name English
CHLOROTHIAMINE [EP]
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYLTHIAZOLIUM
Systematic Name English
THIAMINE HYDROCHLORIDE IMPURITY C [EP]
Common Name English
CHLOROTHIAMINE ION
Common Name English
THIAMINE NITRATE IMPURITY C [EP]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
4W25FR6CGB
Created by admin on Sat Jun 26 04:52:54 UTC 2021 , Edited by admin on Sat Jun 26 04:52:54 UTC 2021
PRIMARY
PUBCHEM
71859
Created by admin on Sat Jun 26 04:52:54 UTC 2021 , Edited by admin on Sat Jun 26 04:52:54 UTC 2021
PRIMARY
CAS
20166-17-0
Created by admin on Sat Jun 26 04:52:54 UTC 2021 , Edited by admin on Sat Jun 26 04:52:54 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
IONIC MOIETY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY