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> Main
CHEBI:229654 - iptacopan hydrochloride monohydrate
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ChEBI Name
iptacopan hydrochloride monohydrate
ChEBI ID
CHEBI:229654
Definition
The monohydrate form of iptacopan hydrochloride. It is a complement factor B inhibitor approved for the treatment of adults with paroxysmal nocturnal hemoglobinuria.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H30N2O4.H2O.ClH
Net Charge
0
Average Mass
477.000
Monoisotopic Mass
476.20780
InChI
InChI=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
InChIKey
JUWBBUFSAGEROP-VVJLZRNGSA-N
SMILES
O.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 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-
{(2
S
,4
S
)-
4-
ethoxy-
1-
[(5-
methoxy-
7-
methyl-
1
H
-
indol-
4-
yl)methyl]piperidin-
2-
yl}benzoic acid hydrochloride hydrate
Synonyms
Sources
(2
S
,4
S
)-
2-
(4-
Carboxyphenyl)-
4-
ethoxy-
1-
[(5-
methoxy-
7-
methyl-
1
H
-
indol-
4-
yl)methyl]piperidin-
1-
ium chloride—water (1/1)
ChEBI
4-
{(2
S
,4
S
)-
4-
ethoxy-
1-
[(5-
methoxy-
7-
methyl-
1
H
-
indol-
4-
yl)methyl]piperidin-
2-
yl}benzoic acid—hydrogen chloride—water (1/1/1)
IUPAC
iptacopan hydrochloride hydrate
KEGG DRUG
LNP 023 hydrochloride monohydrate
ChEBI
LNP-023 hydrochloride monohydrate
DrugBank
LNP-023-AAB
DrugBank
LNP023 hydrochloride monohydrate
ChEBI
LNP023-AAB
DrugBank
Brand Name
Source
Fabhalta
DrugBank
Manual Xrefs
Databases
D12252
KEGG DRUG
DBSALT003493
DrugBank
View more database links
Registry Number
Type
Source
2447007-60-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
38517653
PubMed citation
Europe PMC
Last Modified
16 April 2024