Analyte Name

BIX-01338 Hydrate

CAS Number

1228184-65-3

Molecular Formula

C32H24F3N3O6 • H2O

Molecular Weight

621.57

Accurate Mass

621.17

SMILES

O=C(O)C=1C=CC2=C(N=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)N2CCC4=CC=C(OC(=O)C5=CC=C(OC)C=C5)C=C4)C1.O

InChI

InChI=1S/C32H24F3N3O6.H2O/c1-43-24-13-6-21(7-14-24)30(42)44-25-11-2-19(3-12-25)16-17-38-27-15-8-22(29(40)41)18-26(27)36-31(38)37-28(39)20-4-9-23(10-5-20)32(33,34)35;/h2-15,18H,16-17H2,1H3,(H,40,41)(H,36,37,39);1H2

IUPAC

1-(4-((4-methoxybenzoyl)oxy)phenethyl)-2-(4-(trifluoromethyl)benzamido)-1H-benzo[d]imidazole-5-carboxylic acid hydrate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat