Products 1538617-88-7

CAS 1538617-88-7 is the registry number for Simotinib (hydrochloride). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine;hydrochloride (CAS 1538617-88-7) is a chemical compound with the molecular formula C25H27Cl2FN4O4 and a molecular weight of 537.4 g/mol. IUPAC name: N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine;hydrochloride. InChIKey: RNEAUPHMDFWZDA-UHFFFAOYSA-N.

Identity
Molecular formulaC25H27Cl2FN4O4
Molecular weight537.4 g/mol
IUPAC nameN-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine;hydrochloride
InChIKeyRNEAUPHMDFWZDA-UHFFFAOYSA-N
SMILESCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCN4CC5(CC5)C6(C4)OCCO6.Cl

Computed by PubChem (NCBI)