| 名称 | 内容 |
|---|---|
| kegg编号 | C07778 |
| pubchemid | 9980 |
| name | Cetirizine |
| formula | C21H25ClN2O3 |
| structure |  |
| Isomeric_Smiles | C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)NCS(=O)[O-])N)O.[Na+] |
| Cannoical_Smiles | C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)NCS(=O)[O-])N)O.[Na+] |
| Gotenzyme_Smiles | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
