Eletriptan Hydrobromide
Grundinformationen
- CAS
177834-92-3- Standard-SMILES
Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12- InChIKey
UTINOWOSWSPFLJ-FSRHSHDFSA-N- Summenformel
- C22H27BrN2O2S
- Durchschnittliche Molmasse
- 463,4 g/mol
- Monoisotopische Masse
- 462,0976612
Überblick
Eletriptan hydrobromide is a hydrobromide. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It contains an eletriptan(1+).
Namen und Bezeichner
- Bevorzugter Name
- Eletriptan Hydrobromide
- IUPAC
- 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
- Englischer Name
- Eletriptan hydrobromide
- Summenformel
- C22H27BrN2O2S
- Molmasse
- 463.43
Namen und Synonyme
Eletriptan hydrobromide177834-92-3Eletriptan HBrM41W832TA3UK-116,044-04NSC-759258(R)-3-((1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole monohydrobromideCHEBI:61176UK-116044-04DTXSID0010161133-(((R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)indole, monohydrobromide5-[2-(phenylsulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole hydrobromide
Weitere Namen anzeigen
RelertUk 116044-04Eletriptan HClUnii-m41W832ta3Eletriptan BaseEletriptan-d3 HBrQR-2008082103-ELCPTetriptan hydrobromide
5-(2-(phenylsulfonyl)ethyl)-3-((2R)-pyrrolidin-2-ylmethyl)-1H-indole hydrobromide3-[[(R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]indole, monohydrobromideRefChem:57395DTXCID1014742553-(1-methyl-2-pyrrolidinylmethyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole hydrobromideRelpaxMFCD08141806(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole hydrobromide
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 61,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 582
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Serotonin Receptor Agonists; Serotonin 5-HT1 Receptor Agonists; Triptans; Vasoconstrictor Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section185.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 · 169-171C
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 10 mg/mL · DMSO: >10mg/mL
- Aggregatzustand
- powder
- Farbe
- off-white to light tan
- InChIKey
- PWVXXGRKLHYWKM-IBGZPJMESA-N
- SMILES
- C([C@H]1CCCN1C)C1=CNC2C=CC(CCS(C3C=CC=CC=3)(=O)=O)=CC1=2.Br |&1:1,r|
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (47.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (47.2%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Eletriptan hydrobromide
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
ELETRIPTAN HBR
Serotonin 1d Receptor Agonists [MoA]; Serotonin-1b and Serotonin-1d Receptor Agonist [EPC]; Serotonin 1b Receptor Agonists [MoA]
ELETRIPTAN HYDROBROMIDE
Serotonin 1b Receptor Agonists [MoA]; Serotonin 1d Receptor Agonists [MoA]; Serotonin-1b and Serotonin-1d Receptor Agonist [EPC]
MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
Anwendungen
VerwendenEletriptan hydrobromide is a second generation triptan drug used in the treatment of migraine headaches.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
12
Notizen zur Verbindung
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