BECLOTIAMINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16ClN4S.Cl
Molecular Weight	319.253
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BECLOTIAMINE

Structure Search

SMILES

[Cl-].CC1=C(CCCl)SC=[N+]1CC2=C(N)N=C(C)N=C2

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	283.8
Charge	1
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:50:46 UTC 2023` Edited by `admin` on `Sat Dec 16 16:50:46 UTC 2023`
Record UNII	858M12945S
Record Status	`Validated (UNII)`
Record Version

Download

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

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID40928719

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

PRIMARY

EVMPD

SUB05679MIG

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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FDA UNII

858M12945S

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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ChEMBL

CHEMBL2110639

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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PUBCHEM

71858

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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NCI_THESAURUS

C74430

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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SMS_ID

100000086113

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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MESH

C004527

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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CAS

13471-78-8

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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MERCK INDEX

m64

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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Merck Index

INN

2315

Created by admin on Sat Dec 16 16:50:47 UTC 2023 , Edited by admin on Sat Dec 16 16:50:47 UTC 2023

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Related Record Type Details


					4W25FR6CGB

BECLOTIAMINE ION

PARENT -> SALT/SOLVATE

Related Record Type Details


					4W25FR6CGB

BECLOTIAMINE ION

ACTIVE MOIETY