Structure via PubChem · Public domain (PubChem)
Key facts
- Drug.image
- Berotralstat Structure.svg
- Drug.image_class
- skin-invert-image
- Drug.tradename
- Orladeyo
- Drug.DailyMedID
- Berotralstat
- Drug.routes_of_administration
- By mouth
- Drug.class
- Plasma kallikrein inhibitor
- Drug.ATC_prefix
- B06
- Drug.ATC_suffix
- AC06
- Drug.legal_CA
- Rx-only
- Drug.legal_US
- Rx-only
- Drug.legal_EU
- Rx-only
- Drug.index2_label
- as HCl
- Drug.CAS_number
- 1809010-50-1
- Drug.CAS_number2
- 1809010-52-3
- Drug.PubChem
- 137528262
- Drug.DrugBank
- DB15982
- Drug.ChemSpiderID
- 81368516
- Drug.UNII
- XZA0KB1BDQ
via Wikipedia infobox
Chemical data
- Formula
- C30H26F4N6O
- Molecular weight
- 562.6 g/mol
- IUPAC name
- 1-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
- SMILES
- C1CC1CN[C@@H](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N
- InChIKey
- UXNXMBYCBRBRFD-MUUNZHRXSA-N
- XLogP
- 4.5
- Polar surface area
- 109 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 562.210422332
- Has use
- medication
Show 3 more facts
- canonical SMILES
- C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N
- isomeric SMILES
- C1CC1CN[C@@H](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N
- chemical formula
- C₃₀H₂₆F₄N₆O
via Wikidata · CC0
Article · Deutsch
Berotralstat, verkauft unter dem Markennamen Orladeyo, ist ein Medikament zur Vorbeugung von Attacken des hereditären Angioödems bei Menschen ab zwölf Jahren. Berotralstat wurde im Dezember 2020 in den Vereinigten Staaten von der FDA für die medizinische Anwendung zugelassen.
Abstract from DBpedia / Wikipedia · CC BY-SA