N-Desethyloxybutynin
4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular Identity
N-Desethyloxybutynin
4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID: 133577
N-desethyloxybutynin is a member of benzenes.
2D Structure
Properties
C20H27NO3
Molecular Formula
329.40
Molecular Weight
g/mol
329.1991
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
58.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
452
Complexity
SMILES
Canonical SMILES
SMILES: CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OIsomeric SMILES
SMILES: CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OSynonyms(20)
N-DesethyloxybutyninDeethyloxybutynin80976-67-6DesethyloxybutyninNRX-1018809SNK4F7NT0502NT-0502Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylamino)-2-butynyl esterRefChem:1321704-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetateBenzeneacetic acid, a-cyclohexyl-a-hydroxy-, 4-(ethylamino)-2-butynylester, (aS)-UNII-8809SNK4F7SCHEMBL3364411CHEMBL3544785
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-Desethyloxybutynin
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