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Rucaparib

CAT: 0543-R042-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0543-R042-100MGSize:100 mg
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CAS Number
283173-50-2
Applications
Cancer Research.
Purity
≥98% by HPLC
Molecular Formula
C19H18FN3O
Molecular Weight
323.37
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Rucaparib

Rucaparib is a member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. It has a role as an antineoplastic agent and an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is an azepinoindole, a member of caprolactams, an organofluorine compound and a secondary amino compound. It is a conjugate base of a rucaparib(1+).

CAS Number283173-50-2
PubChem CID9931954
IUPAC Name6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
Molecular FormulaC19H18FN3O
Molecular Weight323.4
XLogP2.5
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity466
SMILES
CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2
InChI
InChI=1S/C19H18FN3O/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/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
InChIKey
HMABYWSNWIZPAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rucaparib
CAS: 283173-50-2
CID: 9931954
Formula: C19H18FN3O
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass323.14339037
Monoisotopic Mass323.14339037
Topological Polar Surface Area56.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
464887-01Rucaparib
HY-10617ASRucaparib-d8

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