netarsudil dihydrochloride

CAS: 1253952-02-1

Formula: C28H29Cl2N3O3

SMILES: Cl[H].Cl[H].CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC2=CC=NC=C2C=C1

IUPAC: {4-[(1S)-2-amino-1-[(isoquinolin-6-yl)carbamoyl]ethyl]phenyl}methyl 2,4-dimethylbenzoate dihydrochloride

InChI: InChI=1S/C28H27N3O3.2ClH/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;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1

Composition: C (63.88%), H (5.55%), Cl (13.47%), N (7.98%), O (9.12%)

Molar Mass: 526.46

Atom Count: 65

Heavy Atom Count: 36