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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N4OS.Br.BrH
Molecular Weight 426.171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE HYDROBROMIDE ANHYDROUS

SMILES

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

InChI

InChIKey=BICSXHHXUZPOLW-UHFFFAOYSA-M
InChI=1S/C12H17N4OS.2BrH/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);2*1H/q+1;;/p-1

HIDE SMILES / InChI

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:11:56 UTC 2023
Edited
by admin
on Sat Dec 16 10:11:56 UTC 2023
Record UNII
K971V37HSF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE HYDROBROMIDE ANHYDROUS
WHO-IP  
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4- METHYLTHIAZOLIUM BROMIDE, MONOHYDROBROMIDE
Systematic Name English
THIAMINE BROMIDE HYDROBROMIDE
Common Name English
THIAMINE HYDROBROMIDE [WHO-IP]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, BROMIDE, HYDROBROMIDE (1:1:1)
Systematic Name English
THIAMINE BROMIDE-HYDROBROMIDE
Common Name English
THIAMINE HYDROBROMIDE, ANHYDROUS [WHO-IP]
Common Name English
THIAMINI HYDROBROMIDUM [WHO-IP LATIN]
Common Name English
THIAMINE BROMIDE, MONOHYDROBROMIDE
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, BROMIDE, MONOHYDROBROMIDE
Systematic Name English
Code System Code Type Description
CAS
4234-86-0
Created by admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
THIAMINE HYDROBROMIDE, ANHYDROUS
Created by admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 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.
PUBCHEM
14216038
Created by admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
PRIMARY
FDA UNII
K971V37HSF
Created by admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY