Search MNXref
 Feedback

Amibegron

PropertiesImage
MNX_IDMNXM41761 Image of MNXM41761
referencechebi:188723
formulaC22H26ClNO4
global charge0
mol weight403.906
InChIKeyRDJQCOBTKKAQAH-FPOVZHCZSA-N
InChIInChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1
SMILESCCOC(=O)COC1=CC2=C(C=C1)CC[C@H](NC[C@H](O)C1=CC(Cl)=CC=C1)C2
MNX internals
InChI (mnx)InChI=1/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1 Image of MNXM41761
SMILES (mnx)[CH3:1][CH2:2][O:27][C:22]([CH2:14][O:28][C:20]1=[CH:9][CH:7]=[C:15]2[CH2:6][CH2:8][C@H:19]([NH:24][CH2:13][C@@H:21]([C:16]3=[CH:10][C:18]([Cl:23])=[CH:5][CH:3]=[CH:4]3)[OH:25])[CH2:11][C:17]2=[CH:12]1)=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:188723
chebi:188723
RDJQCOBTKKAQAH-FPOVZHCZSA-N 		Amibegron
ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

kegg.drug:D08850
keggD:D08850
RDJQCOBTKKAQAH-FPOVZHCZSA-N 		Amibegron (USAN/INN)
hmdb:HMDB0248295
RDJQCOBTKKAQAH-UHFFFAOYSA-N 		Amibegron
ethyl 2-[(7-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
ethyl [(7-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate

keggD:M_D08850 		secondary/obsolete/fantasy identifier