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Chemical structure of Rucaparib Camsylate

GC32793

Rucaparib Camsylate

Also known as [(1S)-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

Rucaparib (AG014699) monocamsylate is an orally active, potent inhibitor of PARP proteins (PARP-1, PARP-2 and PARP-3) with a Ki of 1·4 nM for PARP1· Rucaparib Camsylate is a modest hexose-6-phosphate dehydrogenase (H6PD) inhibitor· Rucaparib Camsylate has the potential for castration-resistant prostate cancer (CRPC) research

ChemicalCAS1859053-21-6MW555.66FormulaC29H34FN3O5S
CAS number
1859053-21-6
Molecular weight
555.66
Formula
C29H34FN3O5S
Solubility
DMSO : 83·33 mg/mL (149·97 mM)
InChIKey
INBJJAFXHQQSRW-FHIDHQGESA-N
Catalogue number
GC32793
Brand
GLPBIO
Computed properties PubChem CID 53356947 · TPSA 137 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
137 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
39

SMILES CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2

Computed descriptors from PubChem (CID 53356947), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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