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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H19NO2.ClH
Molecular Weight 209.714
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IMAGABALIN HYDROCHLORIDE

SMILES

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

InChI

InChIKey=CFMZXQJDAJXNHS-WLYNEOFISA-N
InChI=1S/C9H19NO2.ClH/c1-3-4-7(2)5-8(10)6-9(11)12;/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./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 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Imagabalin is a ligand to the α(2)δ subunit of voltage-sensitive calcium channel and was developed to treat generalized anxiety disorder. Imagabalin was involved in phase III clinical trials when was made a decision to terminate all studies. However, this decision was not based on any safety concerns.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

Dosage from: 50-100 mg oral capsule Dosage and frequency: 50-350 mg once or twice a day Duration: 6 months
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:09:08 UTC 2023
Edited
by admin
on Fri Dec 15 16:09:08 UTC 2023
Record UNII
MJ3F8ZA7Q1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IMAGABALIN HYDROCHLORIDE
USAN  
USAN  
Official Name English
(3S,5R)-3-Amino-5-methyl-octanoic acid hydrochloride
Systematic Name English
IMAGABALIN HYDROCHLORIDE [USAN]
Common Name English
OCTANOIC ACID, 3-AMINO-5-METHYL-, HYDROCHLORIDE, (3S,5R)-
Common Name English
PD-0332334-0002
Code English
OCTANOIC ACID, 3-AMINO-5-METHYL-, HYDROCHLORIDE (1:1), (3S,5R)-
Common Name English
PF00195889-01
Code English
PF-00195889-01
Code English
PD 0332334-0002
Code English
IMAGABALIN HCL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
Code System Code Type Description
USAN
UU-112
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
CAS
610300-00-0
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
DRUG BANK
DBSALT002136
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
SMS_ID
300000044507
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
PUBCHEM
11701275
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
FDA UNII
MJ3F8ZA7Q1
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103836
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID40976533
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
NCI_THESAURUS
C83786
Created by admin on Fri Dec 15 16:09:08 UTC 2023 , Edited by admin on Fri Dec 15 16:09:08 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY