Quetiapine Fumarate , ≥98% , 111974-72-2

Synonym(s):
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate;Quetiapine fumarate;Quetiapine hemifumarate salt

CAS NO.：111974-72-2

Empirical Formula: C46H54N6O8S2

Molecular Weight: 883.09

MDL number: MFCD03423782

EINECS: 1308068-626-2

PRODUCT Properties

• Melting point: 174-176°C
• Flash point: 9℃
• storage temp.: 2-8°C
• solubility: DMSO: >10mg/mL
• form: powder
• color: white to off-white
• Merck: 14,8039
• BCS Class: 2
• Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
• InChIKey: VRHJBWUIWQOFLF-WLHGVMLRSA-N
• SMILES: C(/C(=O)O)=C\C(=O)O.C(N1CCN(C2=NC3C=CC=CC=3SC3=CC=CC=C23)CC1)COCCO
• CAS DataBase Reference: 111974-72-2(CAS DataBase Reference)

Description and Uses

Quetiapine hemifumarate (111974-72-2) is an atypical antipsychotic agent. Antagonist at serotonin (5-HT2) and dopamine (D2) receptors, IC50s=148 and 329 nM respectively.2 Reverses depressive-like behavior and reduces DNA methyltransferase activity induced by maternal deprivation in a rat model.3 Efficacious as a monotherapy in the treatment of posttraumatic stress disorder.4

Quetiapine hemifumarate salt has been used as an antagonist for β-arrestin 2 mutant T205M recruitment.

Safety

• Symbol(GHS): GHS07,GHS09
• Signal word: Warning
• Hazard statements: H302-H400
• Precautionary statements: P273-P301+P312+P330
• Hazard Codes: Xn,N,T,F
• Risk Statements: 22-50/53-52/53-39/23/24/25-23/24/25-11
• Safety Statements: 60-61-45-36/37-16
• RIDADR: UN1230 - class 3 - PG 2 - Methanol, solution
• WGK Germany: 3
• RTECS: KK3605000
• HS Code: 29349990