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Bromocriptin
Parlodel · bromocryptine · bromoergocryptine · BROMOCRITINE · 2-bromo-ergocryptin · Kripton · SAN 15-754 · bromocriptin
Identifikatoren & physikalische Daten
| CAS No. | 25614-03-3 |
|---|---|
| Summenformel | C32H40BrN5O5 |
| Durchschnittliche Molmasse | 654,6 g/mol |
| Monoisotopische Masse | 653,22128 g/mol |
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| InChIKey | OZVBMTJYIDMWIL-AYFBDAFISA-N |
| PubChem CID | 31101 |
| ChEMBL | CHEMBL311816 |
| ChEBI | CHEBI:3181 |
| EC No. | 247-128-5 |
| DTXSID | DTXSID1022687 |
| Lokaler Name | Bromocriptin |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 118 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 43 |
| Formalladung | 0 |
| Komplexität | 1.230 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 3.54.61 |
| Löslichkeit | 8.58e-02 g/L2.07mg/L(temperature not stated) |
| Human Drugs | Breast FeedingLactationMilk, HumanAntiparkinson AgentsDopamine AgonistsErgot AlkaloidsPharmaceuticalsMedicines for central nervous system disorders |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 215-218215-218° (dec) |
| Physical Description | Solid |
| Collision Cross Section | 248.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6020197]243.09 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 891.3±65.0 °C(Predicted) |
| Dichte | 1.2734 (rough estimate) |
| Brechungsindex | 1.6400 (estimate) |
| pKa (Säurekonstante) | pKa 4.90±0.05(80% MCS t = RT) (Uncertain) |
| InChIKey | OZVBMTJYIDMWIL-CCCBMRMVNA-N |
| SMILES | N12[C@@H](CC(C)C)C(N3CCC[C@@]3([H])[C@]1(O)O[C@@](C(C)C)(NC(=O)[C@H]1CN([C@]3([H])CC4=C(NC5C=CC=C(C4=5)C3=C1)Br)C)C2=O)=O |&1:1,11,13,16,23,26,r| |
| CAS Datenbank | 25614-03-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Treatment | Treatment of overdose consists of removal of the drug by emesis (if conscious), gastric lavage, activated charcoal, or saline catharsis. Careful supervision and recording of fluid intake and output is essential. Hypotension should be treated by placing the patient in the Trendelenburg position and administering I.V. fluids. If satisfactory relief of hypotension cannot be achieved by using the above measures to their fullest extent, vasopressors should be considered. (L1827) |
| Gesundheitliche Auswirkungen | A slight hypotensive effect may accompany bromocriptine treatment. Few cases of cerebrospinal fluid rhinorrhea have been reported in patients receiving bromocriptine for treatment of large prolactinomas. Bromocriptine use has been associated with causing or worsening psychotic symptoms and fibrosis of multiple organs. Ingestion of ergoline alkaloids is known to cause the disease ergotism. Ergotism occurs in two forms, gangrenous and convulsive, likely depending on the different kinds and amounts of ergoline alkaloids present. (A2913, L1827, L1934) |
| Hepatotoxicity | Bromocriptine has been reported to cause serum aminotransferase elevations in a small proportion of patients, but these abnormalities are usually mild, asymptomatic and self-limiting even without dose adjustment. In rare instances, more marked elevations occur that may require dose modification or discontinuation and which can recur with rechallenge. In addition, bromocriptine has been implicated in a small number of cases of clinically apparent acute liver injury, but the clinical characteristics and typical pattern of enzyme elevations has not been characterized and case reports of hepatic injury due to bromocriptine have not been published. Thus, bromocriptine is a very rare cause of clinically apparent liver injury and has not been implicated in causing acute liver failure or chronic liver injury. |
Anwendungen & Verwendung
Verwenden
Bromocriptine, a dopaminomimetic that is a dopamine D2 receptor agonist, possesses expressed antiparkinsonian activity. It is used for treating all phases of idiopathic and postencephalic Parkinsonism.