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Details

Stereochemistry RACEMIC
Molecular Formula C6H10NO2.Na
Molecular Weight 151.1389
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIPECOTIC ACID, SODIUM SALT

SMILES

[Na+].[O-]C(=O)C1CCCNC1

InChI

InChIKey=JWURTSBVSVTIRC-UHFFFAOYSA-M
InChI=1S/C6H11NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H10NO2
Molecular Weight 128.1491
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.0 µM [IC50]
38.0 µM [IC50]
106.0 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
4FFB4R29DS
Record Status Validated (UNII)
Record Version