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Niraparib Impurity 18

CAT: 1299-RM-N090118-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090118-01Size:10 mg
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CAS Number
2308483-84-1
Synonyms
(R) -3- (4-nitrophenyl) -1- ((S) -1-phenylethyl) piperidin-2-one
Molecular Formula
C19H20N2O3
Molecular Weight
324.38
Target Alternative Name
Niraparib
Product Name Synonym
(R) -3- (4-nitrophenyl) -1- ((S) -1-phenylethyl) piperidin-2-one

Chemical Information

Niraparib Impurity 18
CAS Number2308483-84-1
PubChem CID155382532
IUPAC Name(3R)-3-(4-nitrophenyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
Molecular FormulaC19H20N2O3
Molecular Weight324.4
XLogP3.6
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity448
SMILES
C[C@@H](C1=CC=CC=C1)N2CCC[C@@H](C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O3/c1-14(15-6-3-2-4-7-15)20-13-5-8-18(19(20)22)16-9-11-17(12-10-16)21(23)24/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3/t14-,18+/m0/s1
InChIKey
RICVVAMPYIWWSQ-KBXCAEBGSA-N
Chemical Structure
2D Structure
2D structure of Niraparib Impurity 18
CAS: 2308483-84-1
CID: 155382532
Formula: C19H20N2O3
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass324.14739250
Monoisotopic Mass324.14739250
Topological Polar Surface Area66.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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