fiboflapon sodium

CAS: 1196070-26-4

Formula: C38H42N3NaO4S

SMILES: CCOC1=NC=C(C=C1)C1=CC=C(CN2C(CC(C)(C)C(=O)O[Na])=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1

IUPAC: sodium 3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoate

InChI: InChI=1S/C38H43N3O4S.Na/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43;/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43);/q;+1/p-1

Composition: C (69.17%), H (6.42%), N (6.37%), Na (3.48%), O (9.70%), S (4.86%)

Molar Mass: 659.82

Atom Count: 89

Heavy Atom Count: 47