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Diclofenamid
Dichlorophenamide · cb8000 · CB 8000 · Glaucor · Oralcon · glaucol · Oratrol · Dalanide
Identifikatoren & physikalische Daten
| CAS No. | 120-97-8 |
|---|---|
| Summenformel | C6H6Cl2N2O4S2 |
| Durchschnittliche Molmasse | 305,2 g/mol |
| Monoisotopische Masse | 303,91460403 g/mol |
| SMILES | NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 |
| InChIKey | GJQPMPFPNINLKP-UHFFFAOYSA-N |
| PubChem CID | 3038 |
| ChEMBL | CHEMBL17 |
| ChEBI | CHEBI:101085 |
| EC No. | 204-440-6 |
| DTXSID | DTXSID1022922 |
| Lokaler Name | Diclofenamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 137 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 452 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 0.20.92 |
| Geruch | SLIGHT CHARACTERISTIC ODOR |
| Color/Form | NEEDLES FROM DIMETHYLSULFOXIDE + WATERWHITE OR NEARLY WHITE, CRYSTALLINE POWDER |
| Löslichkeit | PRACTICALLY INSOL IN WATERSOL IN ALKALINE SOLNFREELY SOL IN PYRIDINE & IN 1 N NAOHSOL IN ALCOHOLSOL IN 2 N SODIUM CARBONATESLIGHTLY SOL IN ETHER3.98e-01 g/LAcetonitrile (Slightly), Chloroform, DMSO (Slightly), Methanol |
| Human Drugs | FDA approved drugs -> Active ingredientPharmaceuticals |
| Schmelzpunkt | 239-241 °C228.7 °C239-241° (patent, mp 228.5-229°) |
| Physical Description | Solid |
| Dissociation Constants | PKA: 7.4, KA: 8.6 |
| Siedepunkt | 590.5±60.0 °C(Predicted) |
| Dichte | 1.7263 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pKa 7.4 (Uncertain)8.6 (Uncertain) |
| Farbe | White to Off-White |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) |
| InChIKey | GJQPMPFPNINLKP-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC(Cl)=C(Cl)C(S(N)(=O)=O)=C1 |
| CAS Datenbank | 120-97-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4,5-Dichloro-m-benzenedisulfonamide(120-97-8) |
| EPA chemische Informationen | 1,3-Benzenedisulfonamide, 4,5-dichloro- (120-97-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - Developmental Toxicity1,3-Benzenedisulfonamide, 4,5-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Benzenedisulfonamide, 4,5-dichloro-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Human Toxicity Excerpts | CALCULUS FORMATION & URETERAL COLIC HAVE BEEN ATTRIBUTED TO MARKED REDN IN URINARY CITRATE...ASSOC WITH EITHER NO CHANGE OR EVEN RISE IN URINARY CALCIUM. ...DEPRESSES UPTAKE OF IODINE BY THYROID GLAND. /ACETAZOLAMIDE/WITH LARGE DOSES, MANY PT EXHIBIT DROWSINESS & PARESTHESIAS. IN HEPATIC CIRRHOSIS, EPISODES OF DISORIENTATION MAY BE INDUCED. ... HYPERSENSITIVITY REACTIONS ARE RELATIVELY RARE. THEY CONSIST IN FEVER, SKIN REACTIONS, BONE-MARROW DEPRESSION, & SULFONAMIDE-LIKE RENAL LESIONS. /CARBONIC ANHYDRASE INHIBITORS/LESS FREQUENT UNTOWARD REACTIONS INCL FATIGUE, EXCITEMENT, & GI REACTIONS. /CARBONIC ANHYDRASE INHIBITORS/GI DISTURBANCES...ANOREXIA, NAUSEA, VOMITING, DIARRHEA, WT LOSS, ALTERED TASTE & SMELL, CONSTIPATION, DRYNESS OF MOUTH, EXCESSIVE THIRST...ABDOMINAL DISTENTION...PARESTHESIA...NUMBNESS & TINGLING SENSATION...IN EXTREMITIES, TONGUE, &/OR MUCOCUTANEOUS JUNCTIONS OF LIPS OR ANUS /ADVERSE EFFECT, ORAL/For more Human Toxicity Excerpts (Complete) data for DICHLORPHENAMIDE (6 total), please visit the HSDB record page. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)DichlorphenamidevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Non-Human Toxicity Excerpts | ANIMAL STUDIES INDICATE SOME TERATOGENIC EFFECTS... |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2935904000 |
| RTECS-Nr. | CZ9200000 |
| R-Sätze (R) | 63 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 120-97-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Like the drugs described above, dichlorphenamide is used for secreting excess water in cases of elevated intraocular pressure, and it is used for treating wide-angle and secondary glaucoma as well as in cases where it is necessary to lower intraocular pressure before surgical intervention in severe wide-angle glaucoma.