BECLOTIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16ClN4S.Cl
Molecular Weight	319.2547
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BPEQAFGUCPPRIB-UHFFFAOYSA-M

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

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

Molecular Formula	ClH
Molecular Weight	36.4609
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/704151

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

Title	Date	PubMed
[Effect of beclotiamine on the thiamine requirements of Eimeria tenella and Eimeria acervulina].	1972 Jun	4672599
Studies on the mode of action of beclotiamine on Eimeria tenella.	1978 Oct	704151
Rapid and sensitive determination of amprolium in chicken plasma by high-performance liquid chromatography with post-column reaction.	1997 Jun 6	9210457

Patents

Substance Class	Chemical Created by `admin` on `Sat Jun 26 15:31:42 UTC 2021` Edited by `admin` on `Sat Jun 26 15:31:42 UTC 2021`
Record UNII	858M12945S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BECLOTIAMINE

Official Name

English

BECLOTIAMINE [INN]

Common Name

English

3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYLTHIAZOLIUM CHLORIDE

Systematic Name

English

BECLOTIAMINE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45812