Analyte Name

Gamitrinib Chloride

CAS Number

2978688-39-8

Molecular Formula

C52H65N3O8P.Cl

Molecular Weight

926.51

Accurate Mass

925.4198

SMILES

[Cl-].CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O

InChI

InChI=1S/C52H64N3O8P.ClH/c1-35-31-42-47(54-29-18-7-8-19-30-64(39-22-12-9-13-23-39,40-24-14-10-15-25-40)41-26-16-11-17-27-41)44(56)34-43(49(42)58)55-51(59)36(2)21-20-28-45(61-5)50(63-52(53)60)38(4)33-37(3)48(57)46(32-35)62-6;/h9-17,20-28,33-35,37,45-46,48,50,57H,7-8,18-19,29-32H2,1-6H3,(H3-,53,54,55,56,58,59,60);1H/b28-20-,36-21+,38-33+;/t35-,37+,45+,46+,48-,50+;/m1./s1

IUPAC

6-[[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-carbamoyloxy-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]amino]hexyl-triphenyl-phosphonium chloride

Country of Origin

CANADA

Product Format

Neat