Velufenacin
[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
Molecular Identity
Velufenacin
[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
PubChem CID: 121425461
2D Structure
Properties
C19H20ClFN2O2
Molecular Formula
362.80
Molecular Weight
g/mol
362.1197
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
41.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
453
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(C1)COC(=O)NC2=CC=CC=C2C3=CC(=C(C=C3)F)ClIsomeric SMILES
SMILES: CN1CC[C@H](C1)COC(=O)NC2=CC=CC=C2C3=CC(=C(C=C3)F)ClSynonyms(20)
Velufenacin1648737-78-3WV3E0S3IQBDA-8010((3R)-1-Methylpyrrolidin-3-yl)methyl (3'-chloro-4'-fluoro(1,1'-biphenyl)-2-yl)carbamateCarbamic acid, N-(3'-chloro-4'-fluoro(1,1'-biphenyl)-2-yl)-, ((3R)-1-methyl-3-pyrrolidinyl)methyl esterCarbamic acid, N-(3'-chloro-4'-fluoro[1,1'-biphenyl]-2-yl)-, [(3R)-1-methyl-3-pyrrolidinyl]methyl esterRefChem:193908UNII-WV3E0S3IQBVelufenacin [INN](R)-(1-methylpyrrolidin-3-yl)methyl (3'-chloro-4'-fluoro-[1,1'-biphenyl]-2-yl)carbamate[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamateVelufenacin, 10 mM in DMSOorb1685224CHEMBL5810614
Data from PubChem (NCBI)
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