GBS
Summary
| Name: | 4-carbamimidamidobenzoic acid |
| Synonyms: | Nafamostat, bound form |
| Formula: | C8 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 179.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-carbamimidamidobenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-carbamimidamidobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=N)Nc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11) |
| InChIKey | InChI | 1.03 | SXTSBZBQQRIYCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)Nc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)Nc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/Nc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)NC(=N)N |
