QA9
1-(4-aminophenyl)sulfonylguanidine
| Created: | 2022-10-17 |
| Last modified: | 2023-03-08 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | 1-(4-aminophenyl)sulfonylguanidine |
| Systematic Name (OpenEye OEToolkits) | 1-(4-aminophenyl)sulfonylguanidine |
| Formula | C7 H10 N4 O2 S |
| Molecular Weight | 214.245 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | NC(=N)N[S](=O)(=O)c1ccc(N)cc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1N)S(=O)(=O)NC(=N)N |
| Canonical SMILES | CACTVS | 3.385 | NC(=N)N[S](=O)(=O)c1ccc(N)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/N)\NS(=O)(=O)c1ccc(cc1)N |
| InChI | InChI | 1.06 | InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11) |
| InChIKey | InChI | 1.06 | BRBKOPJOKNSWSG-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB13726 |
|---|---|
| Name | Sulfaguanidine |
| Groups | experimental |
| Synonyms |
|
| Categories |
|
| ATC-Code | A07AB03 |
| CAS number | 57-67-0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL338802 |
| PubChem | 5324 |
| ChEMBL | CHEMBL338802 |
| ChEBI | CHEBI:94621 |
| CCDC/CSD | SOGUAN03, SOGUAN04, JIFFOT, ZZZAYP03, SOGUAN05, JIFFUZ, FEPPUO, ZZZAKD10, SOGUAN20, FEPQAV |
| COD | 2300342, 2300343, 2300432, 2300433, 2300344, 2300434 |
