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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > chloride salt > organic chloride salt > hydrochloride > zavegepant hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > chloride salt > organic chloride salt > hydrochloride > zavegepant hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic chloride salt > hydrochloride > zavegepant hydrochloride

Preferred term

zavegepant hydrochloride  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H46N8O3.ClH

has_part

has_role

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

mass

  • 675.280

monoisotopicmass

  • 674.34597

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

subset

  • 3_STAR

synonym EXACT

  • 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

synonym RELATED

  • 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
  • BHV-3500 hydrochloride
  • BMS-742413-03
  • zavegepant HCl
  • Zavzpret

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229644

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