| PDB CCD ID: | ECG |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C10 H17 N O3 |
| InChI: | InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 |
| InChIKey: | QIQNNBXHAYSQRY-UYXSQOIJSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(OC)C2C1N(C)C(CC1)CC2O | | OpenEye OEToolkits 1.5.0 | C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC | | CACTVS 3.341 | COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C | | CACTVS 3.341 | COC(=O)[CH]1[CH](O)C[CH]2CC[CH]1N2C | | OpenEye OEToolkits 1.5.0 | CN1C2CCC1C(C(C2)O)C(=O)OC |
|
| Name: | 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER;
ECGONINE METHYL ESTER |
| ChEMBL: | CHEMBL1232472 |
| DrugBank: | DB04688 |
| ZINC: | ZINC000004654765 |
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