Dolasetron Mesylate

Basic Information

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CAS Number

115956-13-3

Molecular Formula

C20H26N2O7S

Molecular Weight

438.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

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

Melting Point

160-165°C

Solubility

H2O: >30mg/mL

SMILES

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CS(=O)(=O)O.C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54.O

InChI

InChI=1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11?,12-,13+,14?;;

InChIKey

QTFFGPOXNNGTGZ-RCSCTSIBSA-N

LogP

1.1983000000000001

Topological Polar Surface Area

148.27 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

627

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CCG-222446
Anzemet
rel-(5s,6R,8r,9aS)-3-Oxooctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylate methanesulfonate hydrate
Anzemet hydrate
D71051
SCHEMBL1237588
Dolasetron (Mesylate hydrate)
AS-13228
Dalasetron Mesylate Hydrate
A916136
MDL-73147EF
Dolasetronmesylate
878143-33-0
115956-13-3
MDL-73147EF (hydrate)
Dolasetron mesilate
AKOS030526960
Dolasetron mesylate hydrate
HMS3714B12
Dolasetron mesylate anhydrous
Dolasetron (Mesylate)
(2R,5R,6S,8R,9aS)-3-oxooctahydro-2H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylate methanesulfonate
Dolasetron methanesulfonate hydrate
CS-3746
dolasetron mesilate monohydrate
Dalasetron (Mesylate hydrate)
NCGC00181048-01
Dolasetron mesylate hydrate, >=98% (HPLC), powder
CCG-220885
MFCD01718979
A854565

MDL Number

MFCD01718979

FAQ

What are the physical and chemical properties of Dolasetron Mesylate (CAS: 115956-13-3)?

Dolasetron Mesylate (CAS: 115956-13-3) is a white to off-white crystalline powder with a molecular weight of approximately 433.46 g/mol. It is slightly soluble in water and ethanol. Dolasetron Mesylate is moderately reactive towards bases and can undergo hydrolysis. The compound exhibits good solubility in organic solvents such as methanol and acetone. It is commonly used as a prodrug for dolasetron and is known for its antiemetic properties.

How is Dolasetron Mesylate (CAS: 115956-13-3) typically synthesized?

Dolasetron Mesylate (CAS: 115956-13-3) is typically synthesized by the methylation of dolasetron hydrochloride. The process involves the reaction of dolasetron hydrochloride with methylsulfonyl chloride in the presence of a base, such as triethylamine, followed by the addition of methylsulfonic acid. The resulting product is dolasetron mesylate, which is then purified through recrystallization from an appropriate solvent.

What industries use Dolasetron Mesylate (CAS: 115956-13-3)?

Dolasetron Mesylate (CAS: 115956-13-3) is primarily used in the pharmaceutical industry. It is an antiemetic drug used to prevent nausea and vomiting caused by chemotherapy, radiotherapy, and surgery. While it has applications in the pharmaceutical field, it is not commonly used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling Dolasetron Mesylate (CAS: 115956-13-3)?

When handling Dolasetron Mesylate (CAS: 115956-13-3), appropriate personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. It should be stored in a tightly closed container in a cool, dry place away from heat and direct sunlight. Spills should be cleaned up using appropriate absorbent materials and the area should be thoroughly washed. It is advised to refer to the safety data sheet (SDS) for detailed handling and disposal instructions to ensure safety and comply with regulations.