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Name: BAY-598 R-isomer CAS#: 1906920-28-2 (BAY598 R-isomer); Chemical Formula: C22H20Cl2F2N6O3 Exact Mass: 524.0942 Molecular Weight: 525.3378 Elemental Analysis: C, 50.30; H, 3.84; Cl, 13.50; F, 7.23; N, 16.00; O, 9.14 |
Technical Information |
Synonym: BAY-598 R-isomer; BAY 598 R-isomer; BAY598 R-isomer IUPAC/Chemical Name: (R, E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3, 4-dichlorophenyl)-4, 5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide InChi Key: OTTJIRVZJJGFTK-SFHVURJKSA-N InChi Code: InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9, 18, 21, 33H, 2, 10-11H2, 1H3, (H, 28, 29)/t18-/m0/s1 SMILES Code: CCN(C(CO)=O)[CH]1CN(/C(NC2=CC=CC(OC(F)F)=C2)=N/C#N)N=C1C3=CC(Cl)=C(Cl)C=C3 |