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CHEBI:233181 - (1S,3S,6S,7S,8R)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecan-9-one(1+)

ChEBI IDCHEBI:233181
ChEBI Name(1S,3S,6S,7S,8R)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecan-9-one(1+)
Stars
ASCII Name(1S,3S,6S,7S,8R)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.0(1,5)]dodecan-9-one(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H29N2O3
Net Charge+1
Average Mass345.463
Monoisotopic Mass345.21727
SMILES[H][C@]12C[C@@]3(CCC1=O)C[C@H]([NH2+]C)CN3[C@@H](Cc1ccc(OC)cc1)[C@H]2O
InChIInChI=1S/C20H28N2O3/c1-21-14-10-20-8-7-18(23)16(11-20)19(24)17(22(20)12-14)9-13-3-5-15(25-2)6-4-13/h3-6,14,16-17,19,21,24H,7-12H2,1-2H3/p+1/t14-,16-,17-,19-,20+/m0/s1
InChIKeyUNCIKOOAXSXCTI-ABWNYZJXSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,3S,6S,7S,8R)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecan-9-one(1+) (CHEBI:233181) is a methylated secondary ammonium ion (CHEBI:137984)
UniProt Name  Source
(1S,3S,6S,7S,8R)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecan-9-oneUniProt
Citations