9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (1:1)

Basic Information

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CAS Number

99614-01-4

Molecular Formula

C18H20ClN3O

Molecular Weight

365.86 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

180-186°C

Solubility

H2O: >5 mg/mL

SMILES

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CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl

InChI

InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H

InChIKey

MKBLHFILKIKSQM-UHFFFAOYSA-N

LogP

1.9009200000000015

pKa

7.4(at 25℃)

Topological Polar Surface Area

102.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

440

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Ondansetron hydrochloride (Zofran)
4H-CARBAZOL-4-ONE, 1,2,3,9-TETRAHYDRO-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-, HYDROCHLORIDE (1:1)
HY-B0002
Monohydrochloride Dihydrate, Ondansetron
ONDANSETRON HYDROCHLORIDE [WHO-DD]
Ondansetron Tablets
NSC 665799
MLS002222312
ondansetronhydrochloride
AB07046
SCHEMBL41455
UNII-2999F27MAD
Ondansetron Monohydrochloride
O0407
NC00102
Q27254405
4H-Carbazol-4-one, 1,2,3,9-Tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-, Monohydrochloride, (+-)-
ZOFRAN PRESERVATIVE FREE
Emetron
ONDANSETRON HYDROCHLORIDE ANHYDROUS
CHEMBL1201111
2999F27MAD
ONDANSETRON HYDROCHLORIDE [MI]
AC-12464
Ondansetron hydrochloride preservative free
C18H20ClN3O.2H2O
ONDANSETRON HYDROCHLORIDE
1,2,3,4-TETRAHYDRO-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-9H-CARBAZOL-4-ONE HYDROCHLORIDE
9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride
C90628
GR-C507/75

MDL Number

MFCD00764297

Customs Code

29339900

FAQ

What regulatory guidelines apply to 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4)?

This compound, 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4), is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA related requirements. It is important to consult the most recent versions of these regulations for specific handling and storage guidelines.

Are there alternatives to 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4) in synthesis?

In the synthesis of 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4), there are several alternatives and analogs such as 9-ethyl carbazolone and other carbazole derivatives. Common alternative reagents include imidazole and methyl derivatives. These alternatives can be considered based on the desired properties and synthesis route.

What is the market or research trend for 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4)?

The market for 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4) is experiencing growth driven by its applications in pharmaceuticals, organic and inorganic chemistry, and materials science. Research trends are focusing on its use in drug discovery and as a precursor for developing new materials with unique properties. Market trends suggest a steady increase in demand due to its versatility and potential applications.

How should waste containing 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4) be handled?

Waste containing 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (CAS: 99614-01-4) should be collected in appropriate containers and stored in a safe, dry environment. For disposal, professional waste management services are recommended, ensuring compliance with local and national waste disposal regulations. Incineration or other professional waste disposal methods should be used, and environmental protection precautions, such as proper ventilation and personal protective equipment, should be maintained throughout the process.