Vilobelimab
[(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate
Molecular Identity
Vilobelimab
[(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate
PubChem CID: 137254326
2D Structure
Properties
C43H60O6
Molecular Formula
672.90
Molecular Weight
g/mol
672.4390
Exact Mass
Da
9.3
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
1480
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CC=CC(=CC=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C)C=CC=CC(=CC(=O)C=C(C=CC2C(CC(CC2(C)C)O)(C)C)C=O)CIsomeric SMILES
SMILES: CC(=CC=CC(=CC=C1[C@](C[C@@H](CC1(C)C)OC(=O)C)(C)O)C)C=CC=CC(=CC(=O)/C=C(/C=C/C2C(CC(CC2(C)C)O)(C)C)\C=O)CSynonyms(8)
Ifx-1RefChem:58692CaCP29F5T0RF9ZJAIFX 1CACP 292250440-41-4Immunoglobulin G4, anti-(human complement C5a) (human-mus musculus monoclonal IFX-1 gamma4-chain), disulfide with human-mus musculus monoclonal IFX-1 kappa-chain, dimer
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vilobelimab
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