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CHEBI:229654 - iptacopan hydrochloride monohydrate

ChEBI IDCHEBI:229654
ChEBI Nameiptacopan hydrochloride monohydrate
Stars
DefinitionThe monohydrate form of iptacopan hydrochloride. It is a complement factor B inhibitor approved for the treatment of adults with paroxysmal nocturnal hemoglobinuria.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC25H30N2O4.H2O.HCl
Net Charge0
Average Mass477.001
Monoisotopic Mass476.20780
SMILESCl.O.[H][C@@]1(c2ccc(C(=O)O)cc2)C[C@@H](OCC)CCN1Cc1c(OC)cc(C)c2nccc12
InChIInChI=1S/C25H30N2O4.ClH.H2O/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;1H2/t19-,22-;;/m0../s1
InChIKeyJUWBBUFSAGEROP-VVJLZRNGSA-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 monohydrate (CHEBI:229654) has part iptacopan hydrochloride (CHEBI:229653)
iptacopan hydrochloride monohydrate (CHEBI:229654) has role complement factor B inhibitor (CHEBI:229655)
iptacopan hydrochloride monohydrate (CHEBI:229654) has role immunomodulator (CHEBI:50846)
iptacopan hydrochloride monohydrate (CHEBI:229654) is a hydrate (CHEBI:35505)
IUPAC Name 
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid hydrochloride hydrate
Synonyms  Source
iptacopan hydrochloride hydrateKEGG DRUG
LNP023 hydrochloride monohydrateChEBI
LNP 023 hydrochloride monohydrateChEBI
LNP-023-AABDrugBank
LNP-023 hydrochloride monohydrateDrugBank
LNP023-AABDrugBank
Brand Name  Source
FabhaltaDrugBank
Manual XrefsDatabases
DBSALT003493DrugBank
D12252KEGG DRUG
Registry NumbersSources
CAS:2447007-60-3ChemIDplus
Citations