Cas no 251451-30-6 (Zolmitriptan N-Oxide)

Zolmitriptan N-Oxide is a metabolite of Zolmitriptan, a selective serotonin receptor agonist used in the treatment of migraines. This compound is of interest in pharmacokinetic and metabolic studies due to its role in the biotransformation pathway of Zolmitriptan. Its formation is catalyzed by hepatic enzymes, particularly cytochrome P450, and it exhibits distinct physicochemical properties compared to the parent drug. Zolmitriptan N-Oxide is utilized in research to elucidate metabolic profiles, drug interactions, and clearance mechanisms. Its stability and well-characterized structure make it a valuable reference standard in analytical chemistry and pharmaceutical development, aiding in the accurate quantification and validation of Zolmitriptan-related studies.
Zolmitriptan N-Oxide structure
Zolmitriptan N-Oxide structure
Product Name:Zolmitriptan N-Oxide
CAS No:251451-30-6
MF:C16H21N3O3
MW:303.356243848801
CID:246397
PubChem ID:10335139
Update Time:2025-06-08

Zolmitriptan N-Oxide Chemical and Physical Properties

Names and Identifiers

    • Zolmitriptan N-Oxide
    • (S)-N,N-Dimethyl-2-(5-((2-oxooxazolidin-4-yl)methyl)-1H-indol-3-yl)ethanamine oxide
    • 2-Oxazolidinone,4-[[3-[2-(dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
    • N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine oxide
    • (4S)-4-[[3-[2-(Dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl-2-oxazolidinone
    • (4S)-4-[[3-[2-(Dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
    • (S)-N,N-Dimethyl-2-{5-[(2-oxooxazolidin-4-yl)methyl]-1H-indol-3-yl}ethanamine oxide
    • J-015837
    • AKOS030255659
    • FT-0675920
    • 251451-30-6
    • 2-Oxazolidinone, 4-[[3-[2-(dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
    • DTXSID00438344
    • N, N-dimethyl-2-[5-[(2-oxo-1, 3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine oxide
    • 4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one
    • DB-262527
    • Inchi： 1S/C16H21N3O3/c1-19(2,21)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-22-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)
    • InChI Key： GZYCQRZFJIZOKU-UHFFFAOYSA-N
    • SMILES： O1C(NC(C1)CC1C=CC2=C(C=1)C(=CN2)CC[N+](C)(C)[O-])=O

Computed Properties

  • Exact Mass: 303.15800
  • Monoisotopic Mass: 303.15829154g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 415
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 72.2?2

Experimental Properties

  • Melting Point: >185°C (dec.)
  • Solubility: Methanol (Slightly), Water (Slightly)
  • PSA: 83.55000
  • LogP: 2.28520

Zolmitriptan N-Oxide Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • Storage Condition：-20°C Freezer, Under Inert Atmosphere

Zolmitriptan N-Oxide Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Zolmitriptan N-Oxide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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SHENG KE LU SI SHENG WU JI SHU
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