U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
127998
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
Patents

Patents

6331289
127
WO2015130994A1
2
Substance Class Chemical
Created
by admin
on Sun Dec 18 14:51:30 UTC 2022
Edited
by admin
on Sun Dec 18 14:51:30 UTC 2022
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 Sun Dec 18 14:51:30 UTC 2022 , Edited by admin on Sun Dec 18 14:51:30 UTC 2022
PRIMARY
PUBCHEM
71859
Created by admin on Sun Dec 18 14:51:30 UTC 2022 , Edited by admin on Sun Dec 18 14:51:30 UTC 2022
PRIMARY
CAS
20166-17-0
Created by admin on Sun Dec 18 14:51:30 UTC 2022 , Edited by admin on Sun Dec 18 14:51:30 UTC 2022
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
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966