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CAS RN 111974-72-2

CAS RN 111974-72-2

IUPAC Name: bis((2E)-but-2-enedioic acid); 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
Synonyms: bis(fumaric acid); quetiapine
Molecular Weight (g/mol): 615.65
Molecular Formula: C29H33N3O10S
InChi Key: JLWSQVHJLLYDPX-LVEZLNDCSA-N
SMILES: OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12
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1

Thermo Scientific Chemicals Quetiapine hemifumarate

CAS: 111974-72-2 Molecular Formula: C29H33N3O10S Molecular Weight (g/mol): 615.65 MDL Number: MFCD03423782 InChI Key: JLWSQVHJLLYDPX-LVEZLNDCSA-N IUPAC Name: bis((2E)-but-2-enedioic acid); 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol SMILES: OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12

CAS 111974-72-2
Molecular Weight (g/mol) 615.65
MDL Number MFCD03423782
SMILES OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12
IUPAC Name bis((2E)-but-2-enedioic acid); 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
InChI Key JLWSQVHJLLYDPX-LVEZLNDCSA-N
Molecular Formula C29H33N3O10S
3

Quetiapine hemifumarate, MedChemExpress

MedChemExpress Quetiapine hemifumarate is a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor. Quetiapine hemifumarate is a dopamine receptor antagonist with a pIC50 of 6.33 for human D2 receptor. Quetiapine hemifumarate has moderate to high affinity for the human D2, HT1A, 5-HT2A, 5-HT2C receptor with pKis of 7.25, 5.74, 7.54, 5.55. Antidepressant and anxiolytic effects.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 441.54
Color Off-White
Physical Form Solid
Chemical Name or Material Quetiapine hemifumarate
Grade Research
SMILES OCCOCCN(CC1)CCN1C2=NC(C=CC=C3)=C3SC4=C2C=CC=C4.O=C(O)/C=C/C(O)=O.[0.5]
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.24%
CAS 111974-72-2
Solubility Information DMSO : 50 mg/mL (113.24 mM; Need ultrasonic) ∣H2O : 1.25 mg/mL (2.83 mM; Need ultrasonic)
Health Hazard 1 H302∣H400
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C23H27N3O4S
Formula Weight 441.54