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Alectinib Impurity 18

CAT: 1299-RM-A329018-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A329018-02Size:25 mg
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CAS Number
1256584-79-8
Synonyms
9-ethyl-6,6-dimethyl-10- (4-morpholinopiperidin-1-yl) -11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Molecular Formula
C30H34N4O2
Molecular Weight
482.63
Target Alternative Name
Alectinib
Product Name Synonym
9-ethyl-6,6-dimethyl-10- (4-morpholinopiperidin-1-yl) -11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile

Chemical Information

9-Ethyl-6,11-dihydro-6,6-dimethyl-10-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CAS Number1256584-79-8
PubChem CID66834858
IUPAC Name9-ethyl-6,6-dimethyl-10-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Molecular FormulaC30H34N4O2
Molecular Weight482.6
XLogP5.2
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity867
SMILES
CCC1=C(C2=C(C=C1)C(C3=C(C2=O)C4=C(N3)C=C(C=C4)C#N)(C)C)N5CCC(CC5)N6CCOCC6
InChI
InChI=1S/C30H34N4O2/c1-4-20-6-8-23-26(27(20)34-11-9-21(10-12-34)33-13-15-36-16-14-33)28(35)25-22-7-5-19(18-31)17-24(22)32-29(25)30(23,2)3/h5-8,17,21,32H,4,9-16H2,1-3H3
InChIKey
ODUJYVDSVKVJLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethyl-6,11-dihydro-6,6-dimethyl-10-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CAS: 1256584-79-8
CID: 66834858
Formula: C30H34N4O2
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass482.26817634
Monoisotopic Mass482.26817634
Topological Polar Surface Area72.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity867
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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