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CHEBI:229653 - iptacopan hydrochloride

ChEBI IDCHEBI:229653
ChEBI Nameiptacopan hydrochloride
Stars
DefinitionThe hydrochloride salt of iptacopan.
Last Modified20 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC25H30N2O4.HCl
Net Charge0
Average Mass458.986
Monoisotopic Mass458.19724
SMILESCl.[H][C@@]1(c2ccc(C(=O)O)cc2)C[C@@H](OCC)CCN1Cc1c(OC)cc(C)c2nccc12
InChIInChI=1S/C25H30N2O4.ClH/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3;/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29);1H/t19-,22-;/m0./s1
InChIKeySEZXOFFLNHXEJE-CQERKEQDSA-N
Roles Classification
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
complement factor B inhibitor  Any inhibitor of complement factor B.
Application:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
ChEBI Ontology
Outgoing Relation(s)
iptacopan hydrochloride (CHEBI:229653) has part iptacopan(1+) (CHEBI:229656)
iptacopan hydrochloride (CHEBI:229653) has role complement factor B inhibitor (CHEBI:229655)
iptacopan hydrochloride (CHEBI:229653) has role immunomodulator (CHEBI:50846)
iptacopan hydrochloride (CHEBI:229653) is a hydrochloride (CHEBI:36807)
Incoming Relation(s)
iptacopan hydrochloride monohydrate (CHEBI:229654) has part iptacopan hydrochloride (CHEBI:229653)
IUPAC Name 
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid hydrochloride
Synonyms  Source
iptacopan HClChEBI
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid—hydrogen chloride (1/1)IUPAC
LNP-023 hydrochlorideChEBI
LNP 023 hydrochlorideChEBI
LNP023 hydrochlorideChEBI
Registry NumbersSources
CAS:1646321-63-2ChEBI