763113-06-0

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763113-06-0 Structure

Identification	Back Directory
[Name] Olaparib impurity 1
[CAS] 763113-06-0
[Synonyms] 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-benzoyl]piperazine 1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]phenyl]methyl]-
[Molecular Formula] C24H24N4O3
[MOL File] 763113-06-0.mol
[Molecular Weight] 416.47

Chemical Properties	Back Directory
[density ] 1.39±0.1 g/cm3(Predicted)
[pka] 12.09±0.40(Predicted)
[InChI] InChI=1S/C24H24N4O3/c29-22-20-7-2-1-6-19(20)21(25-26-22)15-16-4-3-5-18(14-16)24(31)28-12-10-27(11-13-28)23(30)17-8-9-17/h1-7,14,17H,8-13,15H2,(H,26,29)
[InChIKey] UMOUCKQSZGWWOH-UHFFFAOYSA-N
[SMILES] C1(=O)C2=C(C=CC=C2)C(CC2=CC=CC(C(N3CCN(C(C4CC4)=O)CC3)=O)=C2)=NN1

Hazard Information	Back Directory
[Uses] 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-benzoyl]piperazine is used in the preparation of radiolabeled olaparib.

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