Products 514820-03-2

CAS 514820-03-2 is the registry number for Ispinesib (mesylate). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide;methanesulfonic acid (CAS 514820-03-2) is a chemical compound with the molecular formula C31H37ClN4O5S and a molecular weight of 613.2 g/mol. IUPAC name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide;methanesulfonic acid. InChIKey: MRKSDPIHUJSKRA-HZPIKELBSA-N.

Identity
Molecular formulaC31H37ClN4O5S
Molecular weight613.2 g/mol
IUPAC nameN-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide;methanesulfonic acid
InChIKeyMRKSDPIHUJSKRA-HZPIKELBSA-N
SMILESCC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C.CS(=O)(=O)O

Computed by PubChem (NCBI)