Mevidalen
2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Molecular Identity
Mevidalen
2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID: 86290953
2D Structure
Properties
C24H29Cl2NO3
Molecular Formula
450.40
Molecular Weight
g/mol
449.1524
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
60.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: CC1C2=CC=CC(=C2CC(N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)CCC(C)(C)OIsomeric SMILES
SMILES: C[C@H]1C2=CC=CC(=C2C[C@@H](N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)CCC(C)(C)OSynonyms(20)
MevidalenLY31542071638667-79-4LY-31542074A3702A96F2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone2-(2,6-dichlorophenyl)-1-((1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanoneRefChem:158425Mevidalen [USAN]UNII-4A3702A96FGTPL10506Mevidalen (USAN)AKOS0407336442-(2,6-Dichlorophenyl)-1-((1S,3R)-5-(3-hydroxy-3-methylbutyl)-3-(hydroxymethyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-oneAT24876
Data from PubChem (NCBI)
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Drug Network
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