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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4NO2.Na
Molecular Weight 145.0912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM ISONICOTINATE

SMILES

[Na+].[O-]C(=O)C1=CC=NC=C1

InChI

InChIKey=PVXCGWNPDFFPOV-UHFFFAOYSA-M
InChI=1S/C6H5NO2.Na/c8-6(9)5-1-3-7-4-2-5;/h1-4H,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C6H4NO2
Molecular Weight 122.1015
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 Dec 15 19:43:31 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:31 UTC 2023
Record UNII
4N428DW41J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM ISONICOTINATE
Systematic Name English
Code System Code Type Description
FDA UNII
4N428DW41J
Created by admin on Fri Dec 15 19:43:31 UTC 2023 , Edited by admin on Fri Dec 15 19:43:31 UTC 2023
PRIMARY
PUBCHEM
23662338
Created by admin on Fri Dec 15 19:43:31 UTC 2023 , Edited by admin on Fri Dec 15 19:43:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID00168614
Created by admin on Fri Dec 15 19:43:31 UTC 2023 , Edited by admin on Fri Dec 15 19:43:31 UTC 2023
PRIMARY
CAS
16887-79-9
Created by admin on Fri Dec 15 19:43:31 UTC 2023 , Edited by admin on Fri Dec 15 19:43:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE