| 2D Structure | |
| CID | 71587892 |
| Target | / |
| IUPAC Name | [(1S,3R,5S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| InChI | InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14-,15+,16?/m1/s1 |
| InChI Key | WTQYWNWRJNXDEG-YFVFXCHESA-N |
| Canonical SMILES | CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
| Isomeric SMILES | CN1[C@@H]2C[C@H](C[C@H]1C(C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.4 |
| synonyms | ['7-Hydroxyhyoscyamine', '949092-65-3', 'UNII-IK9LA7J3XW', 'IK9LA7J3XW', 'Atropine sulfate impurity E [EP]', 'DTXSID50241683', '(1S,3R,5S,6RS)-6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate', 'ATROPINE SULFATE IMPURITY E [EP IMPURITY]', 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (1S,3R,5S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-', 'BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1S,3R,5S)-6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-', 'ATROPINE SULFATE IMPURITY E (EP IMPURITY)', 'Atropine sulfate impurity E', 'DTXCID80164174', '[(1S,3R,5S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate', '(2S)-(1S,3R,5S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate', 'ATROPINE SULFATE EP IMPURITY E', 'IH171348', 'G87469', 'Q27280767', '1701466-10-5', 'rel-(2S)-(1S,3R,5S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate'] |
From Pubchem