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Vazegepant hydrochloride

CAT: 0931-T8682-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8682-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1414976-20-7
Target
CGRP Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9956
Bioactivity
Vazegepant hydrochloride (Vazegepant HCl) is the first intranasal gepant for the acute treatment of migraine and has announced a positive phase II/III study.
Smiles
Cl.CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
Molecular Formula
C36H47ClN8O3
Molecular Weight
675.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zavegepant hydrochloride

Zavegepant hydrochloride is the hydrochloride salt of zavegepant. It is a calcitonin gene-related peptide receptor antagonist administered as a nasal spray for the acute treatment of migraine with or without aura in adults. It has a role as a calcitonin gene-related peptide receptor antagonist. It contains a zavegepant(1+).

CAS Number1414976-20-7
PubChem CID134819878
IUPAC NameN-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;hydrochloride
Molecular FormulaC36H47ClN8O3
Molecular Weight675.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count48
Formal Charge0
Complexity1160
SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O.Cl
InChI
InChI=1S/C36H46N8O3.ClH/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45;/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47);1H/t32-;/m1./s1
InChIKey
VQDUWCSSPSOSNA-RYWNGCACSA-N
Chemical Structure
2D Structure
2D structure of Zavegepant hydrochloride
CAS: 1414976-20-7
CID: 134819878
Formula: C36H47ClN8O3
MW: 675.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass674.3459651
Monoisotopic Mass674.3459651
Topological Polar Surface Area117 Ų
Heavy Atom Count48
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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