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Rucaparib Camsylate

CAT: 1299-RM-R124101-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R124101-01Size:10 mg
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CAS Number
1859053-21-6
Synonyms
8-fluoro-5- (4- ((methylamino) methyl) phenyl) -2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one ((1S,4R) -7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl) methanesulfonate
Molecular Formula
C19H18FN3O C10H16O4S
Molecular Weight
323.37 232.29
Target Alternative Name
Rucaparib

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
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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

Alternative Products

CatalogName
R044-50MGRucaparib Camsylate
HY-102003ARucaparib (camsylate)
A18013-500Rucaparib (Camsylate) 500mg
A18013-50Rucaparib (Camsylate) 50mg
A18013-25Rucaparib (Camsylate) 25mg
A18013-5Rucaparib (Camsylate) 5mg
A18013-250Rucaparib (Camsylate) 250mg
A18013-100Rucaparib (Camsylate) 100mg
A18013-10Rucaparib (Camsylate) 10mg
6230/50Rucaparib camsylate 50 mg

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