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Vestipitant

CAT: 0013-GTR19210935-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210935-01Size:25 mg
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Description
Vestipitant (GW597599) is a highly potent and selective NK1 receptor antagonist with suitable pharmacokinetics for research. It demonstrates in vivo efficacy in models of anxiety and emesis, supporting its investigation for potential applications in anxiety disorders, depression, and as an antiemetic.
CAS Number
334476-46-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (N ([C@H] (C) C1=CC (C (F) (F) F) =CC (C (F) (F) F) =C1) C) (=O) N2[C@H] (CNCC2) C3=C (C) C=C (F) C=C3
Molecular Formula
C23H24F7N3O
Molecular Weight
491.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vestipitant

Vestipitant has been investigated for the treatment of Tinnitus.

CAS Number334476-46-9
PubChem CID9832383
IUPAC Name(2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
Molecular FormulaC23H24F7N3O
Molecular Weight491.4
XLogP4.7
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity679
SMILES
CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1
InChIKey
SBBYBXSFWOLDDG-JLTOFOAXSA-N
Chemical Structure
2D Structure
2D structure of Vestipitant
CAS: 334476-46-9
CID: 9832383
Formula: C23H24F7N3O
MW: 491.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass491.18075953
Monoisotopic Mass491.18075953
Topological Polar Surface Area35.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity679
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
HY-12140Vestipitant
HY-12141Vestipitant (mesylate)
T69419-01Vestipitant mesylate

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