Analyte Name

Netarsudil-enantiomer(S)-Dimethanesulfonic acid

Molecular Formula

C28 H27 N3 O3 . 2[CH4O3]

Molecular Weight

645.744

Accurate Mass

645.181

SMILES

NC[C@@H](C1=CC=C(C=C1)COC(C2=C(C=C(C=C2)C)C)=O)C(NC3=CC4=C(C=NC=C4)C=C3)=O.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-;;/m0../s1

IUPAC

[4-[(1R)-1-(aminomethyl)-2-(6-isoquinolylamino)-2-oxo-ethyl]phenyl]methyl 2,4-dimethylbenzoate;methanesulfonic acid

Alternate CAS Number

1422144-42-0, 1254032-66-0

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat