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Oxybutynin EP impurity B

CAT: 0926-FO171020-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FO171020-01Size:1 mg
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CAS Number
14943-53-4
Smiles
CCN (CC) CC#CCOC (=O) C (C1=CC=CC=C1) (C2=CC=CC=C2) O
Controlled
No

Chemical Information

alpha-Descyclohexyl-alpha-phenyl oxybutynin
CAS Number14943-53-4
PubChem CID4918064
IUPAC Name4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-diphenylacetate
Molecular FormulaC22H25NO3
Molecular Weight351.4
XLogP3.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity470
SMILES
CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H25NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,25H,3-4,17-18H2,1-2H3
InChIKey
YGGLNZUXAWIXQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Descyclohexyl-alpha-phenyl oxybutynin
CAS: 14943-53-4
CID: 4918064
Formula: C22H25NO3
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass351.18344366
Monoisotopic Mass351.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity470
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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Alternative Products

CatalogName
MBS133193Oxybutynin - Impurity B
AR-O01705-01Oxybutynin Impurity 4
AR-A04478-01Oxybutynin EP Impurity A
MBS133194Oxybutynin - Impurity E
AR-O01704-01Oxybutynin Impurity 3
RM-O240206-01Oxybutynin Hydrochloride Impurity 6; Oxybutynin Hydrochloride EP Impurity F
AR-O01702-01Oxybutynin Adduct Impurity HCl
RM-O240210-01Oxybutynin Hydrochloride Impurity 10
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