Tropisetron | CAS No. 89565-68-4

Tropisetron

Basic Information

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CAS Number

89565-68-4

Molecular Formula

C17H20N2O2

Molecular Weight

284.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

201-202 ºC

Boiling Point

448.5±35.0°C at 760 mmHg

Density

1.26

Solubility

H2O: soluble

SMILES

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CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+

InChIKey

ZNRGQMMCGHDTEI-ITGUQSILSA-N

LogP

2.9499000000000013

Topological Polar Surface Area

45.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

400

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Tropisetron
3-tropanylindole-3-carboxylate hydrochloride
1H-Indole-3-carboxylic acid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
SDZ-ICS 930
3-Tropanylindole-3-carboxylate
icf205-930
ICS 205-930
Indole-3-carbonyl chloride
Novaban
SS-TROPISETRON
TROPICACID
TROPISHTRON HYDROCHLORIDE
1H-Indole-3-carboxylic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo- (ZCI)
ICS 205930
Navoban
ICS-205930
Tropisetronum
NCGC00015984-04
Q29428
Tropisetronum [INN-Latin]
Lopac-T-104
CAS-89565-68-4
HMS2090D16
TROPISETRON [MI]
105826-92-4
PDSP2_000764
TROPISETRON [MART.]
SCHEMBL18299
tropisetron
AKOS015969677

MDL Number

MFCD00864399

FAQ

What are the physical and chemical properties of Tropisetron (CAS: 89565-68-4)?

Tropisetron (CAS: 89565-68-4) is a white to off-white crystalline powder. Its molecular weight is approximately 346.37 g/mol. It is slightly soluble in water and ethanol. Tropisetron is a selective 5-HT3 receptor antagonist with low reactivity towards common chemical reagents.

How is Tropisetron (CAS: 89565-68-4) typically synthesized?

Tropisetron (CAS: 89565-68-4) is typically synthesized through a multi-step process involving alkylation, cyclization, and functional group transformations. Key reagents include methyl 2-aminopropionate and N,N-dimethylformamide. The synthesis yields a high percentage of the desired product with good purity and selectivity.

What industries use Tropisetron (CAS: 89565-68-4)?

Tropisetron (CAS: 89565-68-4) is primarily used in the pharmaceutical industry as an antiemetic. It is also explored for its potential applications in gastrointestinal disorders and chemotherapy-induced nausea and vomiting. Limited use exists in the polymer and sensor industries due to its high cost and specialized requirements.

What precautions should be taken when handling Tropisetron (CAS: 89565-68-4)?

When handling Tropisetron (CAS: 89565-68-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. In case of a spill, immediately clean up with appropriate absorbent materials and follow standard laboratory safety procedures. Always consult the Material Safety Data Sheet (MSDS) for specific handling instructions.