Ubrogepant Intermediate Structure

Ubrogepant Intermediate

Chemical Properties

Boiling point 566.1±50.0 °C(Predicted)
Density  1.57±0.1 g/cm3(Predicted)
pka 2.36±0.20(Predicted)
InChI InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1
InChIKey JZRARRAPRCNVSS-HNNXBMFYSA-N
SMILES C12C[C@@]3(C(=O)NC4=NC=CC=C43)CC1=CC(C(O)=O)=CN=2

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