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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H17NO2
Molecular Weight 159.2261
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGABALIN, (R)-

SMILES

CC(C)C[C@@H](CN)CC(O)=O

InChI

InChIKey=AYXYPKUFHZROOJ-SSDOTTSWSA-N
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H17NO2
Molecular Weight 159.2261
Charge 0
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 15:17:34 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:34 GMT 2023
Record UNII
81R7ZI0HBG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGABALIN, (R)-
Common Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, (3R)-
Systematic Name English
(R)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID
Systematic Name English
(R)-PREGABALIN
Common Name English
PREGABALIN RELATED COMPOUND A [USP IMPURITY]
Common Name English
PREGABALIN RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90276292
Created by admin on Sat Dec 16 15:17:34 GMT 2023 , Edited by admin on Sat Dec 16 15:17:34 GMT 2023
PRIMARY
CAS
148553-51-9
Created by admin on Sat Dec 16 15:17:34 GMT 2023 , Edited by admin on Sat Dec 16 15:17:34 GMT 2023
PRIMARY
RS_ITEM_NUM
1559629
Created by admin on Sat Dec 16 15:17:34 GMT 2023 , Edited by admin on Sat Dec 16 15:17:34 GMT 2023
PRIMARY
PUBCHEM
125889
Created by admin on Sat Dec 16 15:17:34 GMT 2023 , Edited by admin on Sat Dec 16 15:17:34 GMT 2023
PRIMARY
FDA UNII
81R7ZI0HBG
Created by admin on Sat Dec 16 15:17:34 GMT 2023 , Edited by admin on Sat Dec 16 15:17:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
ENANTIOMERIC PURITY/HPLC
USP