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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23F3N6O
Molecular Weight 432.4421
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VOFOPITANT

SMILES

COC1=C(CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)C=C(C=C1)N4N=NN=C4C(F)(F)F

InChI

InChIKey=XILNRORTJVDYRH-HKUYNNGSSA-N
InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23F3N6O
Molecular Weight 432.4421
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

Vofopitant (previously known as GR205171), a tetrazole-derivative, was developed as a neurokinin1 receptor antagonist. Vofopitant was studied in clinical trials phase II for the treatment of primary insomnia and posttraumatic stress disorder. However, these studies were discontinued due to lack of effectiveness. In addition, vofopitant participated in phase I for patients with bipolar disorder. However, this study was terminated because of the slow recruitment; trial unlikely to reach completion.

Originator

Approval Year

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Sleep Initiation and Maintenance Disorders: 10 milligrams; Posttraumatic Stress Disorder: selective neurokinin-1 receptor antagonist, fixed 5 mg dose every day, for 8 weeks.
Route of Administration: Oral
Substance Class Chemical
Record UNII
K08BK043YS
Record Status Validated (UNII)
Record Version