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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H19NO2.ClH
Molecular Weight 209.714
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGABALIN METHYL ESTER HYDROCHLORIDE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:23:33 UTC 2023
Edited
by admin
on Sat Dec 16 18:23:33 UTC 2023
Record UNII
L4HJF4CAD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGABALIN METHYL ESTER HYDROCHLORIDE
Common Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, METHYL ESTER, HYDROCHLORIDE, (3S)-
Systematic Name English
3S-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID, METHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
(S)-METHYL 3-(AMINOMETHYL)-5-METHYLHEXANOATE HYDROCHLORIDE
Systematic Name English
METHYL 3-(AMINOMETHYL)-5-METHYLHEXANOATE HYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
45260929
Created by admin on Sat Dec 16 18:23:34 UTC 2023 , Edited by admin on Sat Dec 16 18:23:34 UTC 2023
PRIMARY
CAS
714230-22-5
Created by admin on Sat Dec 16 18:23:34 UTC 2023 , Edited by admin on Sat Dec 16 18:23:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID40669832
Created by admin on Sat Dec 16 18:23:34 UTC 2023 , Edited by admin on Sat Dec 16 18:23:34 UTC 2023
PRIMARY
FDA UNII
L4HJF4CAD7
Created by admin on Sat Dec 16 18:23:34 UTC 2023 , Edited by admin on Sat Dec 16 18:23:34 UTC 2023
PRIMARY
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