Batefenterol
[1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular Identity
Batefenterol
[1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID: 10372836
2D Structure
Properties
C40H42ClN5O7
Molecular Formula
740.20
Molecular Weight
g/mol
739.2773
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
161
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
1230
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC(=C(C=C1CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6Isomeric SMILES
SMILES: COC1=CC(=C(C=C1CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6Synonyms(20)
Batefenterol743461-65-6GSK-961081GSK961081AGSK9610811IAT42T80TGSK-961081AbatefenterolumRefChem:1166521-(2-((2-chloro-4-((((2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)carbamoyl)ethyl)piperidin-4-yl N-((1,1'-biphenyl)-2-yl)carbamate(R)-1-(3-((2-Chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamateBatefenterol [USAN]MFCD27987925TD-5959Batefenterol (USAN)
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Batefenterol
Loading drug network...