oxybutynin

4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

CAS: 5633-20-5

Molecular Formula	`C22H31NO3`
Molecular Weight	357.5 g/mol
LogP	4.2
Topological Polar Surface Area	49.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	357.2304
Heavy Atoms	26
Complexity	490.0

Chemical Identifiers

CAS Number	5633-20-5
SMILES	`CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O`
InChIKey	`XIQVNETUBQGFHX-UHFFFAOYSA-N`

📖 Product Overview

oxybutynin (CAS: 5633-20-5) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.5 g/mol. Its IUPAC systematic name is 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate. LogP 4.2 Topological Polar Surface Area 49.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 357.2304 Heavy Atoms 26 Complexity 490.0 InChI Key: XIQVNETUBQGFHX-UHFFFAOYSA-N. SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.

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