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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H19NO2
Molecular Weight 185.2634
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATAGABALIN

SMILES

C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C

InChI

InChIKey=IUVMAUQEZFTTFB-YUMQZZPRSA-N
InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1

HIDE SMILES / InChI
Molecular Formula C10H19NO2
Molecular Weight 185.2634
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Atagabalin, also known as PD-0200390, was studied in phase II clinical trials in patients with primary insomnia, but this trial was discontinued because of the unsatisfied results. Atagabalin is a ligand to the α(2)δ subunit of voltage-sensitive calcium channels

Originator

Pfizer
420

Approval Year

Unknown
149,124

Patents

20030176504
1
JP2009108024A
1

Sample Use Guides

In Vivo Use Guide
Capsules, 15 mg, 3 capsules each night before bedtime, Duration - Visit 3-7 for 28 days
Route of Administration: Oral
Substance Class Chemical
Record UNII
JT7957Q2FB
Record Status Validated (UNII)
Record Version
NIH
NCATS
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