Bepotastine
C₂₁H₂₅ClN₂O₃·388.900 g/mol·CID 164522
IUPAC: 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
Also known as: 125602-71-3, Betotastine, bepotastina, Tau 284, bepotastinum (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
388.900g/mol
Exact Mass
388.155370Da
Monoisotopic Mass
388.155370Da
XLogP
1.0
Polar Surface Area
62.7Ų
Complexity
449
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
5
Rotatable Bonds
8
Heavy Atoms
27
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 388.9 g/mol
MW ≤ 500
✓ 1.0
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
Isomers8 compounds with formula C₂₁H₂₅ClN₂O₃
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 2678 · 388.9 g/mol
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 1549000 · 388.9 g/mol
methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride
CID 168978 · 388.9 g/mol
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 150716 · 388.9 g/mol
4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
CID 2350 · 388.9 g/mol
8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164614248 · 388.9 g/mol
8-hydroxy-5-[1-hydroxy-2-[3-(3-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164623432 · 388.9 g/mol
8-hydroxy-5-[1-hydroxy-2-[3-(4-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164623582 · 388.9 g/mol