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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N4OS
Molecular Weight 279.3827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-((4-AMINO-2-ETHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM

SMILES

CCc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1

InChI

InChIKey=INLYYXLPQFTQLY-UHFFFAOYSA-N
InChI=1S/C13H19N4OS/c1-3-12-15-6-10(13(14)16-12)7-17-8-19-11(4-5-18)9(17)2/h6,8,18H,3-5,7H2,1-2H3,(H2,14,15,16)/q+1

HIDE SMILES / InChI

Molecular Formula C13H18N4OS
Molecular Weight 278.3748
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 Jun 25 21:20:33 UTC 2021
Edited
by admin
on Fri Jun 25 21:20:33 UTC 2021
Record UNII
S4UZ2B4SXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((4-AMINO-2-ETHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Systematic Name English
THIAMINE NITRATE IMPURITY F [EP]
Common Name English
ETHYLTHIAMINE
Common Name English
ETHYLTHIAMINE [EP]
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY F [EP]
Common Name English
Code System Code Type Description
FDA UNII
S4UZ2B4SXV
Created by admin on Fri Jun 25 21:20:33 UTC 2021 , Edited by admin on Fri Jun 25 21:20:33 UTC 2021
PRIMARY
PUBCHEM
412810
Created by admin on Fri Jun 25 21:20:33 UTC 2021 , Edited by admin on Fri Jun 25 21:20:33 UTC 2021
PRIMARY
CAS
10593-44-9
Created by admin on Fri Jun 25 21:20:33 UTC 2021 , Edited by admin on Fri Jun 25 21:20:33 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP