Quetiapine-d | CAS No. 1217310-65-0

Quetiapine-d

Basic Information

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CAS Number

1217310-65-0

Molecular Formula

C50H58N6O12S2

Molecular Weight

999.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/2C21H25N3O2S.2C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;2*5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;2*1-2H,(H,5,6)(H,7,8)

InChIKey

SGKKPPGSCBIFAM-UHFFFAOYSA-N

LogP

5.135600000000004

Topological Polar Surface Area

245.79999999999995 Å²

Hydrogen Bond Donor/Acceptor

6 / 18

Synonyms & References

English

Quetiapine D4 hemifumarate
[2H4]-Quetiapine hemifumarate
Quetiapine-d
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy-1,1,2,2-d4)ethan-1-ol
fumarate (2:1)

MDL Number

MFCD14705167

FAQ

What regulatory guidelines apply to Quetiapine-d (CAS: 1217310-65-0)?

Quetiapine-d (CAS: 1217310-65-0) is subject to regulatory guidelines from various organizations such as the GHS for chemical classification and communication, REACH for European Union registration, and FDA and EPA requirements for drug and chemical safety. It is important to adhere to these guidelines to ensure safe handling, transportation, and use.

Are there alternatives to Quetiapine-d (CAS: 1217310-65-0) in synthesis?

There are alternative reagents and compounds that can be used in the synthesis of Quetiapine-d (CAS: 1217310-65-0). Common alternatives include isomers and analogs such as Quetiapine and Quetiapine-fumarate. These alternatives may offer similar properties or can be tailored for specific synthetic purposes, providing flexibility in the production process.

What is the market or research trend for Quetiapine-d (CAS: 1217310-65-0)?

The market for Quetiapine-d (CAS: 1217310-65-0) is driven by ongoing research and development in the field of psychiatric medications. Trends indicate a focus on understanding the therapeutic effects of Quetiapine-d and its role in treating schizophrenia and bipolar disorder. Additionally, there is an interest in exploring its potential applications in other mental health conditions, with price trends fluctuating based on demand and supply in the pharmaceutical market.

How should waste containing Quetiapine-d (CAS: 1217310-65-0) be handled?

Waste containing Quetiapine-d (CAS: 1217310-65-0) should be handled with care to ensure environmental safety. This includes proper collection, storage, and disposal methods. Incineration is a common method for waste disposal, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Safety precautions and waste handling guidelines should be followed to prevent contamination and ensure the safe disposal of this compound.