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Details

Stereochemistry ACHIRAL
Molecular Formula 2C12H17N4OS.2Br.2BrH.H2O
Molecular Weight 870.356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE HYDROBROMIDE HEMIHYDRATE

SMILES

O.Br.Br.[Br-].[Br-].CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.CC3=C(CCO)SC=[N+]3CC4=CN=C(C)N=C4N

InChI

InChIKey=FRXIQIQFJIRBSL-UHFFFAOYSA-L
InChI=1S/2C12H17N4OS.4BrH.H2O/c2*1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h2*5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);4*1H;1H2/q2*+1;;;;;/p-2

HIDE SMILES / InChI
Molecular Formula C12H17N4OS
Molecular Weight 265.355
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:11:57 UTC 2023
Edited
by admin
on Sat Dec 16 10:11:57 UTC 2023
Record UNII
WV7TS40872
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE HYDROBROMIDE HEMIHYDRATE
WHO-IP  
Common Name English
THIAMINE HYDROBROMIDE HEMIHYDRATE [WHO-IP]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, BROMIDE, MONOHYDROBROMIDE, HYDRATE (2:1)
Systematic Name English
THIAMINE BROMIDE, MONOHYDROBROMIDE, HEMIHYDRATE
WHO-IP  
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4- METHYLTHIAZOLIUM BROMIDE, MONO-HYDROBROMIDE, HEMIHYDRATE
Systematic Name English
THIAMINE BROMIDE, MONOHYDROBROMIDE, HEMIHYDRATE [WHO-IP]
Common Name English
THIAMINI HYDROBROMIDUM HEMIHYDRATE [WHO-IP LATIN]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, BROMIDE, HYDROBROMIDE, HYDRATE (2:2:2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
WV7TS40872
Created by admin on Sat Dec 16 10:11:57 UTC 2023 , Edited by admin on Sat Dec 16 10:11:57 UTC 2023
PRIMARY
PUBCHEM
92135631
Created by admin on Sat Dec 16 10:11:57 UTC 2023 , Edited by admin on Sat Dec 16 10:11:57 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
THIAMINE HYDROBROMIDE HEMIHYDRATE
Created by admin on Sat Dec 16 10:11:57 UTC 2023 , Edited by admin on Sat Dec 16 10:11:57 UTC 2023
PRIMARY Description: A white to yellowish white, crystalline powder; odour, slight and characteristic. Solubility: Freely soluble in water and in methanol R; sparingly soluble in ethanol (~750 g/l) TS; practically insoluble in ether R. Category: Component of vitamin B. Storage: Thiamine hydrobromide should be kept in a tightly closed, non-metallic container, protected from light. Definition: Thiamine hydrobromide contains not less than 98.0% and not more than 101.0% of C12H17BrN4OS,HBr, calculated with reference to the dried substance.
CAS
62084-87-1
Created by admin on Sat Dec 16 10:11:57 UTC 2023 , Edited by admin on Sat Dec 16 10:11:57 UTC 2023
PRIMARY
Related Record Type Details
Structure of THIAMINE ION
PARENT -> SALT/SOLVATE
Structure of THIAMINE HYDROBROMIDE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of THIAMINE ION
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