F8M
Summary
| Name: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
| Synonyms: | 7-[3-(dimethylamino)propyl] Analog of Amlexanox |
| Formula: | C18 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 341.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-7-[3-(dimethylamino)propyl]-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24) |
| InChIKey | InChI | 1.03 | UFHZMIKXSGTKFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O |
