Analyte Name

ML 786 Dihydrochloride

CAS Number

1237536-18-3

Molecular Formula

C29H29F3N4O3 • 2(HCl)

Molecular Weight

611.48

Accurate Mass

610.18

SMILES

O=C(C1=CC(C(F)(F)F)=CC(C(N)(C)C)=C1)N[C@@H]2CCC3=C(C2)C=C(OC4=C(C(NC=C4)=N5)CCC5=O)C=C3.Cl.Cl

InChI

InChI=1S/C29H29F3N4O3.2ClH/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26;;/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1

IUPAC

(R)-3-(2-aminopropan-2-yl)-N-(7-((7-oxo-1,5,6,7-tetrahydro-1,8-naphthyridin-4-yl)oxy)-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)benzamide dihydrochloride

Alternate CAS Number

Free Base: 1237586-97-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat