Products 111974-72-2

CAS 111974-72-2 appears in our catalog under these names: Quetiapine fumarate, 98%, Quetiapine Hemifumarate, Quetiapine fumarate, Quetiapine Fumarate 1.0 mg/ml in Methanol (as free base), Quetiapine.hemifumarate. Offered by: Combi-blocks, Chemat Brand, Hubei YoungXin, Mikromol, LoGiCal. Available pack sizes: 25g, 100g, 5g, 1g, on request, 10mg, 25mg, 50mg.

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

Bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol);(E)-but-2-enedioic acid (CAS 111974-72-2) is a chemical compound with the molecular formula C46H54N6O8S2 and a molecular weight of 883.1 g/mol. IUPAC name: bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol);(E)-but-2-enedioic acid. InChIKey: ZTHJULTYCAQOIJ-WXXKFALUSA-N.

Identity
Molecular formulaC46H54N6O8S2
Molecular weight883.1 g/mol
IUPAC namebis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol);(E)-but-2-enedioic acid
InChIKeyZTHJULTYCAQOIJ-WXXKFALUSA-N
SMILESC1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

Computed by PubChem (NCBI)