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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N4O
Molecular Weight 259.3269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of PYRITHIAMINE ION

SMILES

CC1=NC=C(C[N+]2=CC=CC(CCO)=C2C)C(N)=N1

InChI

InChIKey=PZWYDZMWPANLMB-UHFFFAOYSA-N
InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1

HIDE SMILES / InChI

Molecular Formula C14H18N4O
Molecular Weight 258.3189
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 Mon Mar 31 21:18:04 GMT 2025
Edited
by admin
on Mon Mar 31 21:18:04 GMT 2025
Record UNII
C8K5X0362H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIAMINE ION
Common Name English
1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM ION
Preferred Name English
PYRIDINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYL-
Systematic Name English
PYRITHIAMINE CATION
Common Name English
PYRITHIAMINE BASE
Common Name English
2-PICOLINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-
Common Name English
Code System Code Type Description
PUBCHEM
10803
Created by admin on Mon Mar 31 21:18:04 GMT 2025 , Edited by admin on Mon Mar 31 21:18:04 GMT 2025
PRIMARY
CAS
5593-78-2
Created by admin on Mon Mar 31 21:18:04 GMT 2025 , Edited by admin on Mon Mar 31 21:18:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID20204528
Created by admin on Mon Mar 31 21:18:04 GMT 2025 , Edited by admin on Mon Mar 31 21:18:04 GMT 2025
PRIMARY
CHEBI
72290
Created by admin on Mon Mar 31 21:18:04 GMT 2025 , Edited by admin on Mon Mar 31 21:18:04 GMT 2025
PRIMARY
FDA UNII
C8K5X0362H
Created by admin on Mon Mar 31 21:18:04 GMT 2025 , Edited by admin on Mon Mar 31 21:18:04 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY