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Olaparib

CAT: 0127-BUP17180-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17180-06Size:500 mg
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CAS Number
763113-22-0
Synonyms
AZD2281, KU0059436
Purity
=98%
Smiles
C(C=1C=2C(C(=O)NN1)=CC=CC2)C3=CC(C(=O)N4CCN(C(=O)C5CC5)CC4)=C(F)C=C3

Chemical Information

Olaparib

Olaparib is a member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer. It has a role as an antineoplastic agent, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor and an apoptosis inducer. It is a member of phthalazines, a N-acylpiperazine, a member of cyclopropanes and a member of monofluorobenzenes.

CAS Number763113-22-0
PubChem CID23725625
IUPAC Name4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
Molecular FormulaC24H23FN4O3
Molecular Weight434.5
XLogP1.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity790
SMILES
C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
InChI
InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
InChIKey
FDLYAMZZIXQODN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olaparib
CAS: 763113-22-0
CID: 23725625
Formula: C24H23FN4O3
MW: 434.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass434.17541877
Monoisotopic Mass434.17541877
Topological Polar Surface Area82.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity790
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
WGC308113-10mgOlaparib

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