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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H17NO2.ClH
Molecular Weight 195.687
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGABALIN HYDROCHLORIDE

SMILES

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

InChI

InChIKey=LMPTVIKQDISIBX-FJXQXJEOSA-N
InChI=1S/C8H17NO2.ClH/c1-6(2)3-7(5-9)4-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t7-;/m0./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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:11:55 UTC 2023
Edited
by admin
on Sat Dec 16 19:11:55 UTC 2023
Record UNII
8348PZ4JYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGABALIN HYDROCHLORIDE
Common Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, HYDROCHLORIDE (1:1), (3S)-
Systematic Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, HYDROCHLORIDE, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
8348PZ4JYW
Created by admin on Sat Dec 16 19:11:56 UTC 2023 , Edited by admin on Sat Dec 16 19:11:56 UTC 2023
PRIMARY
CAS
530085-00-8
Created by admin on Sat Dec 16 19:11:56 UTC 2023 , Edited by admin on Sat Dec 16 19:11:56 UTC 2023
PRIMARY
PUBCHEM
16756913
Created by admin on Sat Dec 16 19:11:56 UTC 2023 , Edited by admin on Sat Dec 16 19:11:56 UTC 2023
PRIMARY
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