Dersimelagon Dihydrochloride

Product Specifications

CAS Number

1835256-49-9

Hazard Statement

No Data Available

Smiles

O=C([C@@]1(F)[C@@H](CN(C1)C2CCCC2)C3=CC=C(C=C3)OC)N4C[C@@H]([C@H](C4)COC)C5=C(C=C(C=C5)C(F)(F)F)N6CCC(CC6)C(O)=O.Cl.Cl

Molecular Formula

C36H45F4N3O5 • 2(HCl)

Molecular Weight

748.67

InChI

InChI=1S/C36H45F4N3O5.2ClH/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23;;/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45);2*1H/t25-,30+,31+,35+;;/m1../s1

Additionnal Information

IUPAC name: 1-(2-((3S,4R)-1-((3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl)-5-(trifluoromethyl)phenyl)piperidine-4-carboxylic acid dihydrochloride