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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H16NO2.Na
Molecular Weight 181.2079
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGABALIN SODIUM

SMILES

[Na+].CC(C)C[C@H](CN)CC([O-])=O

InChI

InChIKey=RDOYGLCZFATQEB-FJXQXJEOSA-M
InChI=1S/C8H17NO2.Na/c1-6(2)3-7(5-9)4-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);/q;+1/p-1/t7-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C8H16NO2
Molecular Weight 158.2181
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:48 UTC 2023
Edited
by admin
on Sat Dec 16 18:24:48 UTC 2023
Record UNII
3DA4H8E58A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGABALIN SODIUM
Common Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, MONOSODIUM SALT, (3S)-
Systematic Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, SODIUM SALT (1:1), (3S)-
Systematic Name English
Code System Code Type Description
CAS
914254-22-1
Created by admin on Sat Dec 16 18:24:48 UTC 2023 , Edited by admin on Sat Dec 16 18:24:48 UTC 2023
PRIMARY
PUBCHEM
23669189
Created by admin on Sat Dec 16 18:24:48 UTC 2023 , Edited by admin on Sat Dec 16 18:24:48 UTC 2023
PRIMARY
FDA UNII
3DA4H8E58A
Created by admin on Sat Dec 16 18:24:48 UTC 2023 , Edited by admin on Sat Dec 16 18:24:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY