
API0233524
Berotralstat Hydrochloride
Berotralstat Hydrochloride is used to treat hereditary angioedema.
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CAS No.
1809010-52-3
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Synonyms
Berotralstat hydrochloride; Berotralstat dihydrochloride; 1809010-52-3
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CHEMBL ID
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Indications
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Molecule Type
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Compound CID
139030242
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Molecular Weight (g/mol)
635.5
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Molecular Formula
C30H28Cl2F4N6O
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InChI
InChI=1S/C30H26F4N6O.2ClH/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36;;/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41);2*1H/t28-;;/m1../s1
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InChIKey
XFZLBLTUANGZBD-QDSLRZTOSA-N
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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.Cl.Cl
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IUPAC Name
2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;dihydrochloride
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Exact Mass (Da)
634.1637776
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Monoisotopic Mass (Da)
634.1637776
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