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Ebastine

Properties

Image

Occurences in reactions

MNX_ID

MNXM51766

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₃₂H₃₉NO₂

charge

mass

469.29808

reference

chebi:31528

InChIKey

MJJALKDDGIKVBE-UHFFFAOYSA-N

InChI

InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3

SMILES

CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31528 chebi:31528	Ebastine Kestine (TN) bastel ebastel ebastin erostin kestine
kegg.drug:D01478 keggD:D01478	Ebastine (JP18/USAN/INN) Kestine (TN)
bigg.metabolite:ebastine biggM:ebastine	Ebastine c
hmdb:HMDB0060159	Ebastine 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone 4-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine Aleva Bactil Bastel Busidril Ebastel Ebastin Ebatrol Erostin Evastel Evastin Kestin Kestine LAS W-090 LAS-W 090 RP 64305 kestin
metacyc.compound:CPD-20528 metacycM:CPD-20528 seed.compound:cpd31992 seedM:cpd31992	ebastine
hmdb:HMDB60159 biggM:M_ebastine keggD:M_D01478 seedM:M_cpd31992	secondary/obsolete/fantasy identifier