| 2D Structure | |
| CID | 3083622 |
| Target | / |
| IUPAC Name | [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate |
| InChI | InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+ |
| InChI Key | JJNVDCBKBUSUII-LHIUVBILSA-N |
| Canonical SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
| Isomeric SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4 |
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 |
| synonyms | ['Apohyoscine', '535-26-2', 'UNII-RQ98RV32RG', '1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)', 'Aposcopolamin', '((3S,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2R)-3-hydroxy-2-phenyl-propanoate', '(1R,2R,4S,5S,7R)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.0,)nonan-7-yl 2-phenylprop-2-enoic acid', '(1R,2R,4S,5S,7R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0,]nonan-7-yl 2-phenylprop-2-enoic acid', '[(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenyl-propanoate', '1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, atropate (ester)', 'Aposcopolamine', 'RQ98RV32RG', '[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate', '(1R,2R,4S,5S,7S)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl 2-phenylacrylate', '(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate (Apohyoscine)', 'Hyoscine Hydrobromide Imp. C (EP); Hyoscine Imp. C (EP); (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate; Apohyoscine; Hyoscine Hydrobromide Impurity C; Hyoscine Impurity C', 'Aposcopolamine (Standard)', 'SCHEMBL12857076', 'HY-N8728R', 'APOHYOSCINE [USP IMPURITY]', 'DTXSID901045591', 'BENZENEACETIC ACID, .ALPHA.-METHYLENE-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER', 'BENZENEACETIC ACID, .ALPHA.-METHYLENE-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-', 'HY-N8728', 'MFCD00238538', 'AKOS040761367', 'MS-24064', 'CS-0148978', 'NS00094393', 'C90496'] |
From Pubchem