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Vilanterol Dimer

CAT: 1596-AR-V01362-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01362-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2762285-55-0
Synonyms
2- (((6- (2- ((2,6-dichlorobenzyl) oxy) ethoxy) hexyl) ((R) -2-hydroxy-2- (4-hydroxy-3- (hydroxymethyl) phenyl) ethyl) amino) methyl) -4- ((R) -2- ((6- (2- ((2,6-dichlorobenzyl) oxy) ethoxy) hexyl) amino) -1-hydroxyethyl) phenol
Molecular Formula
C48H64Cl4N2O9
Molecular Weight
954.87
API Name
Vilanterol

Chemical Information

Vilanterol Dimer
CAS Number2762285-55-0
PubChem CID137429414
IUPAC Name4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-[[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]methyl]phenol
Molecular FormulaC48H64Cl4N2O9
Molecular Weight954.8
XLogP8
Topological Polar Surface Area153
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count33
Heavy Atom Count63
Formal Charge0
Complexity1120
SMILES
C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNC[C@@H](C2=CC(=C(C=C2)O)CN(CCCCCCOCCOCC3=C(C=CC=C3Cl)Cl)C[C@@H](C4=CC(=C(C=C4)O)CO)O)O)Cl
InChI
InChI=1S/C48H64Cl4N2O9/c49-41-11-9-12-42(50)39(41)33-62-25-23-60-21-7-3-1-5-19-53-29-47(58)35-15-17-45(56)37(27-35)30-54(31-48(59)36-16-18-46(57)38(28-36)32-55)20-6-2-4-8-22-61-24-26-63-34-40-43(51)13-10-14-44(40)52/h9-18,27-28,47-48,53,55-59H,1-8,19-26,29-34H2/t47-,48-/m0/s1
InChIKey
IZUWHFQBOKMICO-CRKOEVGVSA-N
Chemical Structure
2D Structure
2D structure of Vilanterol Dimer
CAS: 2762285-55-0
CID: 137429414
Formula: C48H64Cl4N2O9
MW: 954.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight954.8
XLogP38
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count33
Exact Mass954.333642
Monoisotopic Mass952.336592
Topological Polar Surface Area153 Ų
Heavy Atom Count63
Formal Charge0
Complexity1120
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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