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Olaparib

CAT: 0926-FO33122-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FO33122-01Size:1 g
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CAS Number
763113-22-0
MDL Number
MFCD13185161
Smiles
C1CC1C (=O) N2CCN (CC2) C (=O) C3=C (C=CC (=C3) CC4=NNC (=O) C5=CC=CC=C54) F
Molecular Formula
C24H23FN4O3
Molecular Weight
434.46 g/mol
Controlled
No

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
Loading 3D structure...
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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