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CHEBI:83312 - olodaterol(1+)

ChEBI IDCHEBI:83312
ChEBI Nameolodaterol(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary hydroxy group of olodaterol
Last Modified11 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H27N2O5
Net Charge+1
Average Mass387.456
Monoisotopic Mass387.19145
SMILESCOc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1
InChIKeyCOUYJEVMBVSIHV-SFHVURJKSA-O
ChEBI Ontology
Outgoing Relation(s)
olodaterol(1+) (CHEBI:83312) is a ammonium ion derivative (CHEBI:35274)
olodaterol(1+) (CHEBI:83312) is a organic cation (CHEBI:25697)
olodaterol(1+) (CHEBI:83312) is conjugate acid of olodaterol (CHEBI:82700)
Incoming Relation(s)
olodaterol hydrochloride (CHEBI:83309) has part olodaterol(1+) (CHEBI:83312)
olodaterol (CHEBI:82700) is conjugate base of olodaterol(1+) (CHEBI:83312)
IUPAC Name 
N-[(2R)-2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]-1-(4-methoxyphenyl)-2-methylpropan-2-aminium