713516-99-5

Name AMBRISENTAN
CAS 713516-99-5
Molecular Formula C22H22N2O4
MDL Number MFCD08672619
Molecular Weight 378.43
MOL File 713516-99-5.mol
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Chemical Properties

Melting point  177-179℃ (DEC.)
Boiling point  551.1±60.0 °C(Predicted)
density  1.228
pka 0.97±0.10(Predicted)
InChI InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)
InChIKey OUJTZYPIHDYQMC-UHFFFAOYSA-N
SMILES C(C1C=CC=CC=1)(C1C=CC=CC=1)(OC)C(C(=O)O)OC1=NC(C)=CC(C)=N1

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