Y5R
Summary
| Name: | desloratadine |
| Synonyms: | 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene |
| Formula: | C19 H19 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 310.821 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 |
| InChIKey | InChI | 1.06 | JAUOIFJMECXRGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl |
