| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1983) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DC02 |
| UNII: | O1R9FJ93ED |
| InChI Key | JFPVXVDWJQMJEE-IZRZKJBUSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16N4O8S |
| Molecular Weight | 424.39 |
| AlogP | -0.54 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 173.76 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 29.0 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pneumonia | 3 | D011014 | ClinicalTrials |
| Appendicitis | 2 | D001064 | ClinicalTrials |
| Endophthalmitis | 1 | D009877 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Immune system disorders Jarisch-Herxheimer reaction | 5.6 | ||
| Infections and infestations Vaginal infection | 5.4 | ||
| Vaginal inflammation | 5.4 | ||
| Reproductive system and breast disorders Dermatitis diaper | 3.4 | ||
| Gastrointestinal disorders Nausea | 2.6 | ||
| Gastrointestinal disorders Vomiting | 2.6 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55268-75-2 |
| ChEBI | 3515 |
| ChEMBL | CHEMBL1436 |
| DrugBank | DB01112 |
| DrugCentral | 565 |
| FDA SRS | O1R9FJ93ED |
| Human Metabolome Database | HMDB0015244 |
| Guide to Pharmacology | 10900 |
| KEGG | C06894 |
| PDB | KOV |
| PubChem | 5479529 |
| SureChEMBL | SCHEMBL1821942 |
| ZINC | ZINC000003871978 |