| CAS Number | 1215677-72-7 |
| Catalog Number | AG009FDW(AGN-PC-0WBM7P) |
| Chemical Name | 4-(Ethyl(Propyl)Amino)But-2-Yn-1-Yl 2-Cyclohexyl-2-Hydroxy-2-Phenylacetate |
| IUPAC Name | 4-[ethyl(propyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate |
| InChI | InChI=1S/C23H33NO3/c1-3-17-24(4-2)18-11-12-19-27-22(25)23(26,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5,7-8,13-14,21,26H,3-4,6,9-10,15-19H2,1-2H3 |
| InChI Key | MQLQZGCILBTUPB-UHFFFAOYSA-N |
| MDL Number | MFCD27966924 |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.5130 |
| SMILES | O=C(OCC#CCN(CC)CCC)C(O)(C=1C=CC=CC1)C2CCCCC2 |
| Synonyms | N-Desethyl-N-propyl Oxybutynin,
1215677-72-7,
4-(Ethylpropylamino)but-2-ynyl (RS)-2-cyclohexyl-2-hydroxy-2-phenylacetate,
Ethylpropyl analogue of oxybutynin,
Oxybutynin hydrochloride impurity E [EP],
CTK8G1735,
Oxybutynin Impurity E (HCl salt),
4-(Ethylpropylamino)but-2-ynyl (+/-)-2-cyclohexyl-2-hydroxy-2-phenylacetate,
Oxybutynin chloride impurity, ethylpropyl analog of oxybutynin chloride- [USP],
Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylpropylamino)-2-butyn-1-yl ester,
4-[ethyl(propyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate,
4-(Ethylpropylamino)but-2-ynyl (RS)-2-Cyclohexyl-2-hydroxy-2-phenylacetate (Ethylpropyl Analogue of Oxybutynin),
Oxybutynin Impurity E,
UNII-6ZSE05N16A,
6ZSE05N16A,
CS-O-31140,
|A-Cyclohexyl-|A-hydroxybenzeneacetic Acid 4-(Ethylpropylamino)-2-butyn-1-yl Ester,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.246g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.521g/mol |
| Monoisotopic Mass | 371.246g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number