
API0232939
Atogepant
Atogepant is used for migraine prevention.
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CAS No.
1374248-81-3
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Synonyms
Atogepant; 1374248-81-3; Qulipta
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CHEMBL ID
CHEMBL3991065
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Indications
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Molecule Type
Small molecule
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Compound CID
72163100
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Molecular Weight (g/mol)
603.5
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Molecular Formula
C29H23F6N5O3
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InChI
InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
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InChIKey
QIVUCLWGARAQIO-OLIXTKCUSA-N
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SMILES
C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=C(C=CC(=C6F)F)F
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IUPAC Name
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
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Exact Mass (Da)
603.17050859
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Monoisotopic Mass (Da)
603.17050859
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