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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H19NO2
Molecular Weight 173.2527
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGABALIN METHYL ESTER

SMILES

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

InChI

InChIKey=JDFPGFRTUSUWNI-QMMMGPOBSA-N
InChI=1S/C9H19NO2/c1-7(2)4-8(6-10)5-9(11)12-3/h7-8H,4-6,10H2,1-3H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H19NO2
Molecular Weight 173.2527
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 18:19:47 GMT 2023
Edited
by admin
on Sat Dec 16 18:19:47 GMT 2023
Record UNII
2HE3CMQ2LB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGABALIN METHYL ESTER
Common Name English
METHYL 3-(AMINOMETHYL)-5-METHYLHEXANOATE, (S)-
Systematic Name English
METHYL (3S)-3-(AMINOMETHYL)-5-METHYLHEXANOATE
Systematic Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, METHYL ESTER, (3S)-
Common Name English
Code System Code Type Description
FDA UNII
2HE3CMQ2LB
Created by admin on Sat Dec 16 18:19:48 GMT 2023 , Edited by admin on Sat Dec 16 18:19:48 GMT 2023
PRIMARY
CAS
779325-26-7
Created by admin on Sat Dec 16 18:19:48 GMT 2023 , Edited by admin on Sat Dec 16 18:19:48 GMT 2023
PRIMARY
PUBCHEM
44319400
Created by admin on Sat Dec 16 18:19:48 GMT 2023 , Edited by admin on Sat Dec 16 18:19:48 GMT 2023
PRIMARY
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