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Fesoterodine Impurity B

CAT: 1596-AR-F01369-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01369-01Size:10 Units
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CAS Number
1208313-13-6
Synonyms
(S) -2- (3- (diisopropylamino) -1-phenylpropyl) -4- ((isobutyryloxy) methyl) phenyl isobutyrate
Molecular Formula
C30H43NO4
Molecular Weight
481.68
API Name
Fesoterodine

Chemical Information

2-{(1S)-3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-{[(2-methylpropanoyl)oxy]methyl}phenyl 2-methylpropanoate
CAS Number1208313-13-6
PubChem CID71749542
IUPAC Name[3-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(2-methylpropanoyloxy)phenyl]methyl 2-methylpropanoate
Molecular FormulaC30H43NO4
Molecular Weight481.7
XLogP7.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity630
SMILES
CC(C)C(=O)OCC1=CC(=C(C=C1)OC(=O)C(C)C)[C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C30H43NO4/c1-20(2)29(32)34-19-24-14-15-28(35-30(33)21(3)4)27(18-24)26(25-12-10-9-11-13-25)16-17-31(22(5)6)23(7)8/h9-15,18,20-23,26H,16-17,19H2,1-8H3/t26-/m0/s1
InChIKey
WXQIMMHESMEGJT-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of 2-{(1S)-3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-{[(2-methylpropanoyl)oxy]methyl}phenyl 2-methylpropanoate
CAS: 1208313-13-6
CID: 71749542
Formula: C30H43NO4
MW: 481.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass481.31920885
Monoisotopic Mass481.31920885
Topological Polar Surface Area55.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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