API0232997
Nirogacestat Hydrobromide
Nirmatrelvir is an antiviral (COVID-19).
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CAS No.
1962925-29-6
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Synonyms
1962925-29-6; Nirogacestat hydrobromide; Nirogacestat dihydrobromide
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CHEMBL ID
CHEMBL4298153
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Compound CID
121513889
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Molecular Weight (g/mol)
651.5
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Molecular Formula
C27H43Br2F2N5O
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InChI
InChI=1S/C27H41F2N5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H/t20-,23-;;/m0../s1
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InChIKey
LXEYYZYDWLAIPW-KBVFCZPLSA-N
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SMILES
CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F.Br.Br
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IUPAC Name
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
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Exact Mass (Da)
651.17819
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Monoisotopic Mass (Da)
649.18024
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