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Rucaparib Camsylate

CAT: 0543-R044-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0543-R044-10MGSize:10 mg
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CAS Number
1859053-21-6
Applications
Cancer Research.
Purity
≥98% by HPLC
Molecular Formula
C19H18FN3O ∙ C10H16O4S
Molecular Weight
555.66
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Rucaparib Camsylate

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.

CAS Number1859053-21-6
PubChem CID121490161
IUPAC Name[(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 FormulaC29H34FN3O5S
Molecular Weight555.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity869
SMILES
CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2
InChI
InChI=1S/C19H18FN3O.C10H16O4S/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1
InChIKey
INBJJAFXHQQSRW-STOWLHSFSA-N
Chemical Structure
2D Structure
2D structure of Rucaparib Camsylate
CAS: 1859053-21-6
CID: 121490161
Formula: C29H34FN3O5S
MW: 555.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass555.22032053
Monoisotopic Mass555.22032053
Topological Polar Surface Area137 Ų
Heavy Atom Count39
Formal Charge0
Complexity869
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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