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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O4S2
Molecular Weight 344.41
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE SULFATE

SMILES

CC1=C(CCOS([O-])(=O)=O)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=DXANYXRZRNXGSC-UHFFFAOYSA-N
InChI=1S/C12H16N4O4S2/c1-8-11(3-4-20-22(17,18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H2-,13,14,15,17,18,19)

HIDE SMILES / InChI
Molecular Formula C12H16N4O4S2
Molecular Weight 344.41
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:50 UTC 2023
Edited
by admin
on Sat Dec 16 14:38:50 UTC 2023
Record UNII
IL3N23PNS2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE SULFATE
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(SULFOOXY)ETHYL)-, INNER SALT
Systematic Name English
THIAMINE SULFATE ESTER [EP IMPURITY]
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, HYDROXIDE, HYDROGEN SULFATE (ESTER), INNER SALT
Systematic Name English
THIAMINE NITRATE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71468986
Created by admin on Sat Dec 16 14:38:50 UTC 2023 , Edited by admin on Sat Dec 16 14:38:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID40856129
Created by admin on Sat Dec 16 14:38:50 UTC 2023 , Edited by admin on Sat Dec 16 14:38:50 UTC 2023
PRIMARY
FDA UNII
IL3N23PNS2
Created by admin on Sat Dec 16 14:38:50 UTC 2023 , Edited by admin on Sat Dec 16 14:38:50 UTC 2023
PRIMARY
CAS
2380-61-2
Created by admin on Sat Dec 16 14:38:50 UTC 2023 , Edited by admin on Sat Dec 16 14:38:50 UTC 2023
PRIMARY
SMS_ID
300000047392
Created by admin on Sat Dec 16 14:38:50 UTC 2023 , Edited by admin on Sat Dec 16 14:38:50 UTC 2023
PRIMARY
Related Record Type Details
Structure of THIAMINE MONONITRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THIAMINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966