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Vofopitant

CAT: 1410-M33168-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Vofopitant (GR 205171) is a potent NK1 receptor antagonist with anxiolytic and antiemetic activity for the study of post-traumatic stress disorder (PTSD) .
CAS Number
168266-90-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
432.44
Molecular Formula
C21H23F3N6O
Notes
Research use only, not for human use.
Receptor
Neurokinin receptor

Chemical Information

Vofopitant

Vofopitant has been used in trials studying the treatment of PTSD, Primary Insomnia, and Sleep Initiation and Maintenance Disorders.

CAS Number168266-90-8
PubChem CID6918331
IUPAC Name(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
Molecular FormulaC21H23F3N6O
Molecular Weight432.4
XLogP3.1
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity562
SMILES
COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4
InChI
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
InChIKey
XILNRORTJVDYRH-HKUYNNGSSA-N
Chemical Structure
2D Structure
2D structure of Vofopitant
CAS: 168266-90-8
CID: 6918331
Formula: C21H23F3N6O
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass432.18854386
Monoisotopic Mass432.18854386
Topological Polar Surface Area76.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5615-1Vofopitant
BUP08796-01Vofopitant dihydrochloride
HY-12143-01Vofopitant (dihydrochloride)
MBS387429-01Vofopitant (GR 205171)
A21543-50Vofopitant dihydrochloride 50mg
A21543-10Vofopitant dihydrochloride 10mg
A21543-5Vofopitant dihydrochloride 5mg
A21543-1Vofopitant dihydrochloride 1mg
A21543-100Vofopitant dihydrochloride 100mg
A21543-25Vofopitant dihydrochloride 25mg

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