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CHEBI:229644 - zavegepant hydrochloride

ChEBI IDCHEBI:229644
ChEBI Namezavegepant hydrochloride
Stars
DefinitionThe 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.
Last Modified19 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC36H46N8O3.HCl
Net Charge0
Average Mass675.278
Monoisotopic Mass674.34597
SMILESCc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4nc3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cnnc12.Cl
InChIInChI=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
InChIKeyVQDUWCSSPSOSNA-RYWNGCACSA-N
Roles Classification
Biological Role:
calcitonin gene-related peptide receptor antagonist  An antagonist at any calcitonin gene-related peptide receptor.
ChEBI Ontology
Outgoing Relation(s)
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  Source
zavegepant HClChEBI
BHV-3500 hydrochlorideChEBI
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 chlorideIUPAC
BMS-742413-03DrugBank
Brand Name  Source
ZavzpretKEGG DRUG
Manual XrefsDatabases
DBSALT003479DrugBank
D11899KEGG DRUG
Registry NumbersSources
CAS:1414976-20-7KEGG DRUG
Citations