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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
134361
Substance Class Chemical
Created
by admin
on Thu Jul 06 20:12:58 UTC 2023
Edited
by admin
on Thu Jul 06 20:12:58 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 Thu Jul 06 20:12:58 UTC 2023 , Edited by admin on Thu Jul 06 20:12:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID40856129
Created by admin on Thu Jul 06 20:12:58 UTC 2023 , Edited by admin on Thu Jul 06 20:12:58 UTC 2023
PRIMARY
FDA UNII
IL3N23PNS2
Created by admin on Thu Jul 06 20:12:58 UTC 2023 , Edited by admin on Thu Jul 06 20:12:58 UTC 2023
PRIMARY
CAS
2380-61-2
Created by admin on Thu Jul 06 20:12:58 UTC 2023 , Edited by admin on Thu Jul 06 20:12:58 UTC 2023
PRIMARY
SMS_ID
300000047392
Created by admin on Thu Jul 06 20:12:58 UTC 2023 , Edited by admin on Thu Jul 06 20:12:58 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
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