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N-Methyl Oxybutynin

CAT: 0572-TRC-M420710-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M420710-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1199574-70-3
Hazard Statement
No Data Available
Smiles
OC(C1=CC=CC=C1)(C(OCC#CCN(C)CC)=O)C2CCCCC2
Molecular Formula
C21H29NO3
Molecular Weight
343.46
InChI
InChI=1S/C21H29NO3/c1-3-22(2)16-10-11-17-25-20(23)21(24,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4,6-7,12-13,19,24H,3,5,8-9,14-17H2,1-2H3
Additionnal Information
IUPAC name: 4-(ethyl(methyl)amino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Shipping Conditions
Room Temperature

Chemical Information

N-Desethyl-N-methyl oxybutynin
CAS Number1199574-70-3
PubChem CID9884509
IUPAC Name4-[ethyl(methyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular FormulaC21H29NO3
Molecular Weight343.5
XLogP3.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
CCN(C)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO3/c1-3-22(2)16-10-11-17-25-20(23)21(24,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4,6-7,12-13,19,24H,3,5,8-9,14-17H2,1-2H3
InChIKey
FWVUDIODXYRQJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desethyl-N-methyl oxybutynin
CAS: 1199574-70-3
CID: 9884509
Formula: C21H29NO3
MW: 343.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass343.21474379
Monoisotopic Mass343.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-01426Oxybutynin N-Oxide
AR-O01691-01Oxybutynin-N-Oxide
008390N-Desethyl-N-propyl Oxybutynin
AR-O01698-01N-Desethyl Oxybutynin-N-Oxide
AR-O09023-01N-Nitroso N-Desethyl Oxybutynin
CS-O-06844N-Desethyl Oxybutynin D5
CS-O-05875N-Desethyl Oxybutynin Hydrochloride
AR-O01686-01N-Desethyl Oxybutynin HCl
461751-01Oxybutynin Related Compound C Hydrochloride (4-Methyl-4-desethyl Oxybutynin)
465697S-N-Desethyl N-Benzyl Oxybutynin

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