CHEBI:229644 - zavegepant hydrochloride

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ChEBI Name zavegepant hydrochloride
ChEBI ID CHEBI:229644
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C36H46N8O3.ClH
Net Charge 0
Average Mass 675.280
Monoisotopic Mass 674.34597
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
SMILES Cl.CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2
Roles Classification
Biological Role(s): calcitonin gene-related peptide receptor antagonist
An antagonist at any calcitonin gene-related peptide receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing zavegepant hydrochloride (CHEBI:229644) has part zavegepant(1+) (CHEBI:229645)
zavegepant hydrochloride (CHEBI:229644) has role calcitonin gene-related peptide receptor antagonist (CHEBI:196956)
zavegepant hydrochloride (CHEBI:229644) is a hydrochloride (CHEBI:36807)
IUPAC Name
N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide hydrochloride
Synonyms Sources
1-methyl-4-{4-[(2R)-3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yl]carbonyl}amino)propanoyl]piperazin-1-yl}piperidinium chloride IUPAC
BHV-3500 hydrochloride ChEBI
BMS-742413-03 DrugBank
zavegepant HCl ChEBI
Brand Name Source
Zavzpret KEGG DRUG
Manual Xrefs Databases
D11899 KEGG DRUG
DBSALT003479 DrugBank
View more database links
Registry Number Type Source
1414976-20-7 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
37227596 PubMed citation Europe PMC
37345774 PubMed citation Europe PMC
37460143 PubMed citation Europe PMC
37471249 PubMed citation Europe PMC
37897226 PubMed citation Europe PMC
38333255 PubMed citation Europe PMC
Last Modified
19 February 2024