Structure via PubChem · Public domain (PubChem)
Berotralstat
Sign in to saveAlso known as Orladeyo, BCX7353
Berotralstat, sold under the brand name Orladeyo, is a medication used to prevent attacks of hereditary angioedema. Berotralstat is a plasma kallikrein inhibitor. It is taken by mouth.
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