| Phytochemical Name : 6-Hydroxyhyoscyamine |
| PCNDIDOT0996 |
| Pubchem CID : 6918612 |
| Molecular formula: C17H23NO4 |
| Canonical SMILES : CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
Synonymes : anisodamine|55869-99-3|Hyoscyamine, 6-hydroxy-|Anisodamine, (+/-)-|Raceanisodamine [WHO-DD]|U5AC4ZPQ36|Raceanisodamine|6.beta.-Hydroxyhyoscyamine|UNII-U5AC4ZPQ36|UNII-01343Q8EL8|(-)-6.beta.-hydroxyhyoscyamine|6-Hydroxyhyoscyamine|654-II|01343Q8EL8|[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate|6-Hydroxy hyoscyamine|alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester|[(1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate|85760-60-7|Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-rel-|(Z)-RACANISODAMINE|ANISODAMINE [MART.]|ANISODAMINE [WHO-DD]|CHEMBL2165224|DTXSID301025872|GLXC-25555|Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-|Benzeneacetic acid, alpha-(hydroxymethyl)-, 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (1R-(1-alpha,3-beta(S*),5-alpha,6-alpha))-|HY-N0584|AKOS015955736|CCG-221772|CS-4549|DB11785|NCGC00485098-01|NCGC00485098-02|MS-24415|(S)-3-hydroxy-2-phenyl-propionic acid (1r,3s,5r,6S)-6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester, AldrichCPR|BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-|BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-REL- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.670 |
| Log Po/w (XLOGP3) : 0.860 |
| Log Po/w (WLOGP) : 0.520 |
| Log Po/w (MLOGP) : 1.190 |
| Log Po/w (SILICOS-IT) : 1.140 |
| Consensus Log Po/w : 1.280 |