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Iptacopan hydrochloride

CAT: 0127-BUP16236-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16236-01Size:5 mg
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CAS Number
1646321-63-2
Synonyms
Iptacopan HCl, LNP023 hydrochloride
Purity
=95%
Smiles
Cl.CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O

Chemical Information

iptacopan hydrochloride anhydrous

Iptacopan hydrochloride is the hydrochloride salt of iptacopan. It has a role as a complement factor B inhibitor and an immunomodulator. It contains an iptacopan(1+).

CAS Number1646321-63-2
PubChem CID117823351
IUPAC Name4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;hydrochloride
Molecular FormulaC25H31ClN2O4
Molecular Weight459.0
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity594
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC.Cl
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
Chemical Structure
2D Structure
2D structure of iptacopan hydrochloride anhydrous
CAS: 1646321-63-2
CID: 117823351
Formula: C25H31ClN2O4
MW: 459.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass458.1972352
Monoisotopic Mass458.1972352
Topological Polar Surface Area74.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T9189-01Iptacopan hydrochloride
HY-127105A-01Iptacopan (hydrochloride)
T69628-01Iptacopan hydrochloride hydrate
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HY-200854Iptacopan (hydrochloride hydrate)
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