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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClN4S
Molecular Weight 283.8
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BECLOTIAMINE ION

SMILES

CC1=C(CCCl)SC=[N+]1CC2=CN=C(C)N=C2N

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 283.8
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Unknown
139594
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

Patents

6331289
128
WO2015130994A1
2
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:30:52 UTC 2023
Edited
by admin
on Sat Dec 16 14:30:52 UTC 2023
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
THIAMINE NITRATE IMPURITY C [EP IMPURITY]
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYLTHIAZOLIUM
Systematic Name English
CHLOROTHIAMINE [EP IMPURITY]
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
CHLOROTHIAMINE ION
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 Dec 16 14:30:52 UTC 2023 , Edited by admin on Sat Dec 16 14:30:52 UTC 2023
PRIMARY
PUBCHEM
71859
Created by admin on Sat Dec 16 14:30:52 UTC 2023 , Edited by admin on Sat Dec 16 14:30:52 UTC 2023
PRIMARY
CAS
20166-17-0
Created by admin on Sat Dec 16 14:30:52 UTC 2023 , Edited by admin on Sat Dec 16 14:30:52 UTC 2023
PRIMARY
Related Record Type Details
Structure of BECLOTIAMINE
SALT/SOLVATE -> PARENT
Structure of BECLOTIAMINE ION
IONIC MOIETY
Related Record Type Details
Structure of THIAMINE MONONITRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THIAMINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of BECLOTIAMINE ION
ACTIVE MOIETY
NIH
NCATS
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