Rimegepant Sulfate
Grundinformationen
- CAS
1374024-48-2- Standard-SMILES
N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O.O.O.O=S(=O)(O)O- InChIKey
SOGUOEZRYKUOHR-CQZKMDJHSA-N- Summenformel
- C56H64F4N12O13S
- Durchschnittliche Molmasse
- 1.221,2 g/mol
- Monoisotopische Masse
- 1.220,43726396
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Rimegepant Sulfate
- IUPAC
- bis([(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate);sulfuric acid;trihydrate
- Englischer Name
- Rimegepant sulfate
- Summenformel
- C28H30F2N6O7S
- Molmasse
- 632.64
Namen und Synonyme
Rimegepant sulfate1374024-48-2Nurtec ODT1383NM3Q0HDTXSID60160174RefChem:57236DTXCID9082665Rimegepant sulfate [USAN]RIMEGEPANT SULFATE HYDRATERIMEGEPANT HEMISULFATE SESQUIHYDRATERimegepant sulfate (USAN)UNII-1383NM3Q0H
Weitere Namen anzeigen
Repotrectinib sulfateRimegepant sulfate，PhEur/USP(DMF)Rimegepant 1/2Sulfate 3/2Trihydrate[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate(5S,6S,9R)-5-amino-6-(2,3difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b] pyridin-9-yl4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylate hemisulfate sesquihydrate(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate hemisulfate sesquihydrateRimegepant sulfate hydrate【Chemical name：1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-, (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 313 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 86
- Formalladung
- 0
- Komplexität
- 973
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Analgesics; Calcitonin Gene Related Peptide Receptor Antagonists; CGRP-R Inhibitors
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- InChIKey
- SBWRYPRKGHWPOH-FDZFFRPLNA-N
- SMILES
- S(O)(O)(=O)=O.O=C1NC2=NC=CC=C2N1C1CCN(C(=O)O[C@@H]2CC[C@@H](C3C=CC=C(F)C=3F)[C@H](N)C3=CC=CN=C23)CC1 |&1:22,25,34,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Rimegepant sulfate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H373
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
RIMEGEPANT SULFATE
Calcitonin Gene-related Peptide Receptor Antagonist [EPC]; Calcitonin Gene-related Peptide Receptor Antagonists [MoA]
Anwendungen
BeschreibungRimegepant sulfate is a small molecule, highly selective calcitonin gene-related peptide antagonist (CGRP) developed by Biohaven Pharmaceutical Holdings, Inc. and approved by the FDA for the acute treatment of migraine. rimegepant and ubrogepant are the only CGRP antagonists with oral bioavailability. Because of the absence of vasoconstrictive properties observed with oral CGRP antagonists, the use of rimegepant is safer and more reliable in patients with contraindications to standard therapy[1].
VerwendenRimegepant sulfate is indicated for the acute treatment of migraine and for the preventive treatment of episodic migraine in adults.
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