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bambuterol

PropertiesImage
MNX_IDMNXM43296 Image of MNXM43296
referencechebi:553827
formulaC18H29N3O5
global charge0
mol weight367.446
InChIKeyANZXOIAKUNOVQU-UHFFFAOYSA-N
InChIInChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
SMILESCN(C)C(=O)OC1=CC(OC(=O)N(C)C)=CC(C(O)CNC(C)(C)C)=C1
MNX internals
InChI (mnx)InChI=1/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3/t15? Image of MNXM43296
SMILES (mnx)[CH3:1][C:18]([CH3:2])([CH3:3])[NH:19][CH2:11][CH:15]([C:12]1=[CH:8][C:13]([O:25][C:16]([N:20]([CH3:4])[CH3:5])=[O:23])=[CH:10][C:14]([O:26][C:17]([N:21]([CH3:6])[CH3:7])=[O:24])=[CH:9]1)[OH:22]
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:553827
chebi:553827
ANZXOIAKUNOVQU-UHFFFAOYSA-N 		bambuterol
(+-)-5-(2-(tert-butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate)
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate)
Bambuterol
bambuterolum
terbutaline bis(dimethylcarbamate)
terbutaline bisdimethylcarbamate

kegg.drug:D07377
keggD:D07377
ANZXOIAKUNOVQU-UHFFFAOYSA-N 		Bambuterol (INN)
hmdb:HMDB0015478
ANZXOIAKUNOVQU-UHFFFAOYSA-N 		Bambuterol
(+-)-5-(2-(Tert-butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate)
(+-)-5-(2-(Tert-butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamic acid)
3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate
5-(2-(Tert-butylamino)-1-hydroxyethyl)-3-phenylene bis(dimethylcarbamate)
Bambuterol hydrochloride
Bambuterolum
Terbutaline bis(dimethylcarbamate)
Terbutaline bis(dimethylcarbamic acid)
Terbutaline bisdimethylcarbamate
Terbutaline bisdimethylcarbamic acid
bambuterol

hmdb:HMDB15478
keggD:M_D07377 		secondary/obsolete/fantasy identifier