| PDB CCD ID: | A1APV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H21 N O4 |
| InChI: | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 |
| InChIKey: | UZHSEJADLWPNLE-GRGSLBFTSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54 | | OpenEye OEToolkits 2.0.7 | C=CCN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)O | | CACTVS 3.385 | Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)C(=O)CC[C]35O)CC=C | | CACTVS 3.385 | Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC=C | | OpenEye OEToolkits 2.0.7 | C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O |
|
| Name: | Naloxone;
3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one |
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