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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N4OS
Molecular Weight 265.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of THIAMINE ION

SMILES

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

InChI

InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
InChI=1S/C12H17N4OS/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)/q+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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:13 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:13 UTC 2023
Record UNII
4ABT0J945J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE ION
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
DAILYMED
4ABT0J945J
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
CAS
70-16-6
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID50220251
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
CHEBI
18385
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
FDA UNII
4ABT0J945J
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
RXCUI
1546268
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY RxNorm
PUBCHEM
1130
Created by admin on Fri Dec 15 15:55:14 UTC 2023 , Edited by admin on Fri Dec 15 15:55:14 UTC 2023
PRIMARY
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