API0233044

Netarsudil Mesylate

Neratinib Maleate is an anticancer drug (HER2 inhibitor).

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Molecular Weight (g/mol)

645.7
Molecular Formula

C30H35N3O9S2
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
InChIKey

QQDRLKRHJOAQDC-FBHGDYMESA-N
SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.CS(=O)(=O)O.CS(=O)(=O)O
IUPAC Name

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

645.18147205
Monoisotopic Mass (Da)

645.18147205

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