| 2D Structure | |
| CID | 12306866 |
| Target | / |
| IUPAC Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate |
| InChI | InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3/t14-,15+,16? |
| InChI Key | WPUIZWXOSDVQJU-XYPWUTKMSA-N |
| Canonical SMILES | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
| Isomeric SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
| Molecular Formula | C17H21NO2 |
| Molecular Weight | 271.35 |
| synonyms | ['Apoatropine', '500-55-0', 'Apoatropin', 'Apohyoscyamine', 'Atropamin', 'Apohyoscyamin', 'Atropyltropeine', 'Atropamine', '3B4C10J0BP', '[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate', 'Tropine, atropate (ester)', 'UNII-3B4C10J0BP', 'EINECS 207-906-7', 'BRN 0085429', 'Atropamine (Apoatropin)', 'APOATROPINE [MI]', 'SCHEMBL24069', 'SCHEMBL24070', '(+/-)-APOATROPINE', '5-21-01-00228 (Beilstein Handbook Reference)', 'SCHEMBL23495041', 'Apoatropin; Apohyoscyamin; Apohyoscyamine; Atropamin; Atropamine; Atropyltropeine', 'WPUIZWXOSDVQJU-XYPWUTKMSA-N', 'WPUIZWXOSDVQJU-ZSHCYNCHSA-N', 'APOATROPINE [USP IMPURITY]', 'DTXSID801023633', 'BENZENEACETIC ACID, .ALPHA.-METHYLENE-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-', 'ATROPINE SULFATE EP IMPURITY A', 'AKOS040761366', 'Benzeneacetic acid, alpha-methylene-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-', 'endo-alpha-Methylenebenzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester', 'G87472', 'ATROPINE SULFATE IMPURITY A [EP IMPURITY]', '1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester)', '1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, ATROPATE (ESTER)', '(1R,3R,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL 2-PHENYLPROPENOATE', 'Benzeneacetic acid, alpha-methylene-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester', 'BENZENEACETIC ACID, .ALPHA.-METHYLENE-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER'] |
From Pubchem