Rucaparib camsylate
[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
Molecular Identity
Rucaparib camsylate
[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
PubChem CID: 121490161
Rucaparib camsylate is a camphorsulfonate salt obtained by reaction of rucaparib with one molar equivalent of (1S,4R)-camphorsulfonic acid. It is an inhibitor of poly (ADP-ribose) polymerase and is used as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is an azepinoindole and a camphorsulfonate salt. It contains a rucaparib(1+) and a (S)-camphorsulfonate.
2D Structure
Properties
C29H34FN3O5S
Molecular Formula
555.70
Molecular Weight
g/mol
555.2203
Exact Mass
Da
137
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
869
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rucaparib camsylaterucaparib camphorsulfonatePF-1367338-BW41AX9SJ8KOCHEBI:134692C0-338CO-338UNII-41AX9SJ8KO(4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indol-2-yl)phenyl)-N-methylmethanaminium ((1S,4R)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptan-1-yl)methanesulfonate[4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate8-fluoro-2-(4-((methylamino)methyl)phenyl)-1,3,4,5-tetrahydro-6H-pyrrolo(4,3,2-ef)(2)benzazepin-6-one (7,7-dimethyl-2-oxobicyclo(2.2.1)heptan-1-yl)methanesulfonate (1:1)8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate (1:1)RefChem:571818-Fluoro-2-(4-((methylamino)methyl)phenyl)-1,3,4,5-tetrahydro-6H-azepino(5,4,3-cd)indol-6-one ((1S,4R)-7,7dimethyl-2-oxobicyclo(2.2.1)hept-1-yl)methanesulfonic Acid SaltBicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-, Compound with 8-Fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-6H-pyrrolo(4,3,2-ef)(2)benzazepin-6-one (1:1)
Data from PubChem (NCBI)
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