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Home > Encyclopedia > ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]-

ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]-

ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]- structure

ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]- 

structure
  • CAS No:

    329216-63-9

  • Formula:

    C21H25N3O3S

  • Chemical Name:

    ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]-

  • Synonyms:

    ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]-;2-[2-[4-(5-Oxidodibenzo[b,f][1,4]Thiazepin-11-Yl)-1-Piperazinyl]ethoxy] Ethanol;Quetiapine Sulfoxide;11-yl)-1-piperazinyl]ethoxy]-;Ethanol, 2-[2-[4-(5-oxidodibenzo[b,f][1,4]thiazepin-;Quetiapine IMpurity S (Quetiapine Sulfoxide);Quetiapine metabolite Quetiapine sulfoxide;Quetiapine EP Impurity S

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

Quetiapine sulfoxide is a metabolite of Quetiapine, which is an atypical antipsychotic compound.

ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]- Basic Attributes

399.51

399.161652

DTXSID40439830

Characteristics

94.1

-0.51

pale yellow solid

1.4±0.1 g/cm3

~48°C

611.3±65.0 °C at 760 mmHg

323.5±34.3 °C

1.675

Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Quetiapine Sulfoxide is a known human metabolite of quetiapine.

ETHANOL, 2-[2-[4-(5-OXIDODIBENZO[B,F][1,4]THIAZEPIN-11-YL)-1-PIPERAZINYL]ETHOXY]- Use and Manufacturing

A metabolite of Quetiapine, which is used as an antipsychotic.

Computed Properties

Molecular Weight:399.5
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:399.16166284
Monoisotopic Mass:399.16166284
Topological Polar Surface Area:94.1
Heavy Atom Count:28
Complexity:515
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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