Analyte Name

Netarsudil Dimesylate

CAS Number

1422144-42-0

Molecular Formula

C28 H27 N3 O3 . 2 C H4 O3 S

Molecular Weight

645.744

Accurate Mass

645.181

SMILES

Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc3ccc4cnccc4c3)c(C)c1.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C28H27N3O3.2CH4O3S/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;2*1-5(2,3)4/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H3,(H,2,3,4)/t26-;;/m1../s1

IUPAC

[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;methanesulfonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Synthesis Tools

Product Format

Neat