CHEBI:229653 - iptacopan hydrochloride

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ChEBI Name iptacopan hydrochloride
ChEBI ID CHEBI:229653
Definition The hydrochloride salt of iptacopan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H30N2O4.ClH
Net Charge 0
Average Mass 458.980
Monoisotopic Mass 458.19724
InChI InChI=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
InChIKey SEZXOFFLNHXEJE-CQERKEQDSA-N
SMILES Cl.[H][C@]1(C[C@H](CCN1CC1=C(OC)C=C(C)C2=C1C=CN2)OCC)C1=CC=C(C=C1)C(O)=O
Roles Classification
Biological Role(s): complement factor B inhibitor
Any inhibitor of complement factor B.
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
Application(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
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
iptacopan HCl ChEBI
LNP 023 hydrochloride ChEBI
LNP-023 hydrochloride ChEBI
LNP023 hydrochloride ChEBI
Registry Number Type Source
1646321-63-2 CAS Registry Number ChEBI
Last Modified
20 February 2024