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

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(N)=C(C[N+]2=CC=CC(CCO)=C2C)C=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 Sat Dec 16 03:19:04 GMT 2023
Edited
by admin
on Sat Dec 16 03:19:04 GMT 2023
Record UNII
C8K5X0362H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIAMINE ION
Common Name English
PYRIDINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYL-
Systematic Name English
1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM ION
Common 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 Sat Dec 16 03:19:04 GMT 2023 , Edited by admin on Sat Dec 16 03:19:04 GMT 2023
PRIMARY
CAS
5593-78-2
Created by admin on Sat Dec 16 03:19:04 GMT 2023 , Edited by admin on Sat Dec 16 03:19:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID20204528
Created by admin on Sat Dec 16 03:19:04 GMT 2023 , Edited by admin on Sat Dec 16 03:19:04 GMT 2023
PRIMARY
CHEBI
72290
Created by admin on Sat Dec 16 03:19:04 GMT 2023 , Edited by admin on Sat Dec 16 03:19:04 GMT 2023
PRIMARY
FDA UNII
C8K5X0362H
Created by admin on Sat Dec 16 03:19:04 GMT 2023 , Edited by admin on Sat Dec 16 03:19:04 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY