THIAMINE BROMIDE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H17N4OS.Br
Molecular Weight	345.259
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIAMINE BROMIDE

Structure Search

SMILES

[Br-].CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=URCYCZPVXXIFSR-UHFFFAOYSA-M

InChI=1S/C12H17N4OS.BrH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C12H16N4OS
Molecular Weight	264.347
Charge	0
Count

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

Molecular Formula	BrH
Molecular Weight	80.912
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 `Fri Dec 15 19:41:16 UTC 2023` Edited by `admin` on `Fri Dec 15 19:41:16 UTC 2023`
Record UNII	JIJ7B8T57F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIAMINE BROMIDE

Common Name

English

Thiamine bromide [WHO-DD]

Common Name

English

3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM BROMIDE

Systematic Name

English

THIAMINIUM BROMIDE

Common Name

English

Code System Code Type Description

FDA UNII

JIJ7B8T57F

Created by admin on Fri Dec 15 19:41:16 UTC 2023 , Edited by admin on Fri Dec 15 19:41:16 UTC 2023

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CAS

7019-71-8

Created by admin on Fri Dec 15 19:41:16 UTC 2023 , Edited by admin on Fri Dec 15 19:41:16 UTC 2023

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EPA CompTox

DTXSID40990431

Created by admin on Fri Dec 15 19:41:16 UTC 2023 , Edited by admin on Fri Dec 15 19:41:16 UTC 2023

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PUBCHEM

71284

Created by admin on Fri Dec 15 19:41:16 UTC 2023 , Edited by admin on Fri Dec 15 19:41:16 UTC 2023

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MESH

C003434

Created by admin on Fri Dec 15 19:41:16 UTC 2023 , Edited by admin on Fri Dec 15 19:41:16 UTC 2023

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