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Chemical structure of Larotinib mesylate hydrate

GC69358

Larotinib mesylate hydrate

Also known as 6-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;methanesulfonic acid;hydrate

Larotinib mesylate hydrate is an effective, broad-spectrum, orally active tyrosine kinase inhibitor (TKI) with EGFR as the main target, with an IC50 of 0·6 nM

ChemicalCAS2097129-93-4MW699.17FormulaC26H36ClFN4O11S2
CAS number
2097129-93-4
Molecular weight
699.17
Formula
C26H36ClFN4O11S2
InChIKey
SOZDTNWXBLYRLP-GQOINVLUSA-N
Catalogue number
GC69358
Brand
GLPBIO
Computed properties PubChem CID 168006954 · TPSA 204 Ų · H-bond donors 4 · H-bond acceptors 16
TPSA
204 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
45

SMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4C[C@@H]5[C@H](C4)OCCO5.CS(=O)(=O)O.CS(=O)(=O)O.O

Computed descriptors from PubChem (CID 168006954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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