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Alectinib Impurity 8

CAT: 1596-AR-A05883-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A05883-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1256585-32-6
Molecular Formula
C30H33N3O3
Molecular Weight
483.61
API Name
Alectinib

Chemical Information

9-Ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxonaphtho[2,3-b][1]benzofuran-3-carbonitrile
CAS Number1256585-32-6
PubChem CID66834862
IUPAC Name9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxonaphtho[2,3-b][1]benzofuran-3-carbonitrile
Molecular FormulaC30H33N3O3
Molecular Weight483.6
XLogP5.5
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity868
SMILES
CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(O5)C=C(C=C6)C#N)(C)C
InChI
InChI=1S/C30H33N3O3/c1-4-20-16-23-24(17-25(20)33-9-7-21(8-10-33)32-11-13-35-14-12-32)30(2,3)29-27(28(23)34)22-6-5-19(18-31)15-26(22)36-29/h5-6,15-17,21H,4,7-14H2,1-3H3
InChIKey
OTVUDEGORQXJQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxonaphtho[2,3-b][1]benzofuran-3-carbonitrile
CAS: 1256585-32-6
CID: 66834862
Formula: C30H33N3O3
MW: 483.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.6
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass483.25219192
Monoisotopic Mass483.25219192
Topological Polar Surface Area69.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity868
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

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