Feedback

bepotastine(1+)

Properties

Image

Occurences in reactions

MNX_ID

MNXM103038

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₂₆ClN₂O₃

charge

mass

389.16265

reference

chebi:71202

InChIKey

YWGDOWXRIALTES-NRFANRHFSA-O

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)/p+1/t21-/m0/s1

SMILES

O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.[H+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71202 chebi:71202	bepotastine(1+) bepotastine cation betotastine cation betotastine(1+)
kegg.drug:D09705 keggD:D09705	Bepotastine (USAN/INN)
hmdb:HMDB0015600	Bepotastine 4-{4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid TAU-284DS talion
CHEBI:71204 chebi:71204	bepotastine (+)-4-(((S)-p-Chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric acid 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic acid bepotastina bepotastinum betotastine
hmdb:HMDB15600 keggD:M_D09705	secondary/obsolete/fantasy identifier