Jnj-17166864
[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride
Molecular Identity
Jnj-17166864
[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride
PubChem CID: 11619164
2D Structure
Properties
C21H25Cl3N2O2
Molecular Formula
443.80
Molecular Weight
g/mol
442.0982
Exact Mass
Da
38.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
489
Complexity
SMILES
Canonical SMILES
SMILES: C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3CCOCC3.[Cl-]Isomeric SMILES
SMILES: C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3CCOCC3.[Cl-]Synonyms(15)
JNJ-17166864874887-03-3VF9KM790TYUNII-VF9KM790TY(4-(3,4-Dichlorobenzoylamino)benzyl)dimethyl(tetrahydropyran-4-yl)ammonium chloride2H-Pyran-4-aminium, N-((4-((3,4-dichlorobenzoyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-, chloride (1:1)RefChem:150522[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium;chlorideSCHEMBL313326orb1703329CHEMBL4297292AKOS040745897N-(4-(3,4-dichlorobenzamido)benzyl)-N,N-dimethyltetrahydro-2H-pyran-4-aminium chlorideT24205Q27291804
Data from PubChem (NCBI)
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