Rizatriptan n10-oxide

Basic Information

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CAS Number

260435-42-5

Molecular Formula

C15H19N5O

Molecular Weight

285.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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C[N+](C)(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)[O-]

InChI

InChI=1S/C15H19N5O/c1-20(2,21)6-5-13-8-17-15-4-3-12(7-14(13)15)9-19-11-16-10-18-19/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3

InChIKey

DQTBNOJGXNZYDG-UHFFFAOYSA-N

LogP

2.00180

Complexity

351

Synonyms & References

English

1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide
N,N-Dimethyl-2-(5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)ethanamine N-oxide
UNII-YNT22B2U4T
A1-03009
AKOS040754896
Rizatriptan benzoate impurity H [EP]
N, N-dimethyl-2-[5-(1, 2, 4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine oxide
SCHEMBL5795627
Q27294613
RIZATRIPTAN BENZOATE IMPURITY H [EP IMPURITY]
Rizatriptan N10-Oxide
Rizatriptan N10-Oxide-d6
Rizatriptan Benzoate Imp. H (EP); 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide; N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine N-oxide; Rizatriptan N-Oxide; Rizatriptan Benzoate Impurity H
1261392-57-7
2-(5-((1H-1,2,4-Triazol-1-yl)methyl)-1H-indol-3-yl)-N,N-dimethylethan-1-amine oxide
Rizatriptan N-oxide
CID 49849865
YNT22B2U4T
J-016233
260435-42-5
FT-0674446
DTXSID60180690
AKOS030255954
FT-0674447
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine Oxide
1H-Indole-3-ethanamine,N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine oxide
Rizatriptan N10-Oxid
Rizatriptan N-Oxide
Rizatriptan Metabolite
2-(5-((1H-1,2,4-triazol-1-yl)methyl)-1H-indol-3-yl)-N,N-dimethylethan-1-amine oxide

MDL Number

MFCD10566005

FAQ

What are the physical and chemical properties of Rizatriptan n10-oxide (CAS: 260435-42-5)?

Rizatriptan n10-oxide has a crystalline form with a melting point around 198-200°C. Its molecular weight is approximately 389.47 g/mol. It is slightly soluble in water and ethanol. Chemically, it is relatively stable but can react with strong acids and bases. It is a white or off-white solid with poor solubility in common organic solvents.

How is Rizatriptan n10-oxide (CAS: 260435-42-5) typically synthesized?

Rizatriptan n10-oxide is synthesized by the oxidation of rizatriptan using a suitable oxidizing agent like potassium permanganate in the presence of a suitable solvent like dimethylformamide (DMF). The reaction is carried out under controlled conditions to ensure high selectivity and yield. The product's purity is improved through recrystallization, and it is typically obtained as a white solid.

What industries use Rizatriptan n10-oxide (CAS: 260435-42-5)?

Rizatriptan n10-oxide is primarily used in the pharmaceutical industry. It is a key intermediate in the synthesis of rizatriptan, a drug used to treat migraine headaches. Additionally, it may have applications in polymer science and materials science, particularly in the development of new drug delivery systems and sensors.

What precautions should be taken when handling Rizatriptan n10-oxide (CAS: 260435-42-5)?

When handling Rizatriptan n10-oxide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Ensure to work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed handling instructions and emergency procedures.