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 No supplier information found for this compound.
Download Molfile XML SDF
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