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Nebivolol Impurity 6

CAT: 1299-RM-N022206-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N022206-01Size:10 mg
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CAS Number
129101-34-4
Synonyms
(S) -1- ((S) -chroman-2-yl) -2- (((S) -2- ((R) -6-fluorochroman-2-yl) -2-hydroxyethyl) amino) ethanol
Molecular Formula
C22H26FNO4
Molecular Weight
387.44
Target Alternative Name
Nebivolol
Product Name Synonym
(S) -1- ((S) -chroman-2-yl) -2- (((S) -2- ((R) -6-fluorochroman-2-yl) -2-hydroxyethyl) amino) ethanol

Chemical Information

Desfluoro Nebivolol
CAS Number129101-34-4
PubChem CID58409721
IUPAC Name2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
Molecular FormulaC22H26FNO4
Molecular Weight387.4
XLogP2.9
Topological Polar Surface Area71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity495
SMILES
C1CC2=CC=CC=C2OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O
InChI
InChI=1S/C22H26FNO4/c23-16-7-10-20-15(11-16)6-9-22(28-20)18(26)13-24-12-17(25)21-8-5-14-3-1-2-4-19(14)27-21/h1-4,7,10-11,17-18,21-22,24-26H,5-6,8-9,12-13H2
InChIKey
JMAVJQLYDMPPMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desfluoro Nebivolol
CAS: 129101-34-4
CID: 58409721
Formula: C22H26FNO4
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass387.18458647
Monoisotopic Mass387.18458647
Topological Polar Surface Area71 Ų
Heavy Atom Count28
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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