(3R)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride


Chemical Name: (3R)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride
CAS Number: 99614-01-4
Product Number: AG0065JT(AGN-PC-0H1NJH)
Synonyms:
MDL No: MFCD00374371
Molecular Formula: C18H24ClN3O3
Molecular Weight: 365.8545

Identification/Properties


Properties
MP:
176-181°C
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
329.828g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
329.129g/mol
Monoisotopic Mass:
329.129g/mol
Topological Polar Surface Area:
39.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
440
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ondansetron hydrochloride, a potent antiemetic drug commonly used to treat nausea and vomiting, also finds application in chemical synthesis processes. As a hygroscopic white to off-white crystalline powder, Ondansetron hydrochloride plays a vital role as a catalyst or reagent in various organic transformations. Its significant solubility in water makes it a versatile compound for reactions requiring a polar medium. In synthetic chemistry, Ondansetron hydrochloride demonstrates utility in the preparation of pharmaceutical intermediates, natural product synthesis, and other chemical reactions where its structural features can facilitate the desired organic transformations.