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Palonosetron Impurity 4

CAT: 1596-AR-P01124-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01124-01Size:10 Units
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CAS Number
177793-79-2
Synonyms
(S) -N- ((S) -quinuclidin-3-yl) -1,2,3,4-tetrahydronaphthalene-1-carboxamide
Molecular Formula
C18H24N2O
Molecular Weight
284.4
API Name
Palonosetron

Chemical Information

(S)-N-((S)-Quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CAS Number177793-79-2
PubChem CID15338431
IUPAC Name(1S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
Molecular FormulaC18H24N2O
Molecular Weight284.4
XLogP2.7
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity389
SMILES
C1C[C@@H](C2=CC=CC=C2C1)C(=O)N[C@@H]3CN4CCC3CC4
InChI
InChI=1S/C18H24N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16-17H,3,5,7-12H2,(H,19,21)/t16-,17+/m0/s1
InChIKey
KOAZNWLKDYIEHQ-DLBZAZTESA-N
Chemical Structure
2D Structure
2D structure of (S)-N-((S)-Quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CAS: 177793-79-2
CID: 15338431
Formula: C18H24N2O
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass284.188863393
Monoisotopic Mass284.188863393
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity389
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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