Cas no 18296-44-1 (Valepotriate)

Valepotriates are a group of naturally occurring iridoid compounds primarily found in the Valeriana genus, known for their bioactive properties. These compounds exhibit sedative, anxiolytic, and muscle-relaxant effects, making them of interest in pharmacological research. Valepotriates are characterized by their unstable ester structures, which can degrade under heat or light, necessitating careful handling and storage. Their mechanism of action is thought to involve modulation of the GABAergic system. Due to their potential therapeutic applications, valepotriates are studied for use in herbal medicine and neuropharmacology. Analytical methods such as HPLC are commonly employed to quantify their presence in plant extracts.
Valepotriate structure
Valepotriate structure
Product Name:Valepotriate
CAS No:18296-44-1
MF:C22H30O8
MW:422.468807697296
MDL:MFCD00868024
CID:51000
PubChem ID:442436
Update Time:2025-10-29

Valepotriate Chemical and Physical Properties

Names and Identifiers

    • Valtrate
    • [(1S,6S,7aS)-4-(Acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
    • Valepotriate
    • VALTRATE(P)(PLEASE CALL)
    • HalazuchroMe B
    • tolterodine
    • ValepotriatuM
    • ValtratuM
    • VALTRATE(P)
    • (1S,7R)-4-Acetoxymethyl-6,7aα-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1α,6α-diol 1,6-bis(3-methylbutanoate)
    • [(7R,7As)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-o
    • Valtrato
    • Valtrats
    • L3JQ035X9B
    • [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
    • Valtrate [INN]
    • Valtrats [German]
    • Valtratum [INN-Latin]
    • Valtrato [INN-Spanish]
    • MEGxp0_000900
    • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisova
    • VALTRATE [WHO-DD]
    • SCHEMBL1073699
    • EINECS 242-174-2
    • MFCD00868024
    • CHEMBL402061
    • V-2700
    • Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-
    • MS-27416
    • HY-N0718
    • (1S,2'R,6S)-4-(acetoxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate)
    • AC-34887
    • CCRIS 5795
    • Butanoic acid, 3-methyl-, 1,1'-[(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl] ester
    • BDIAUFOIMFAIPU-KVJIRVJXSA-N
    • C09801
    • (1S,6S,7R,7aS)-4-[(Acetyloxy)methyl]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate)
    • (7S)-4-Acetoxymethyl-1,6,7,7a-tetrahydro-1alpha,6alpha-bis(isovaleroyl)cyclopent(c)pyran-7-spiro-2-oxiran
    • BUTANOIC ACID, 3-METHYL-, 4-((ACETYLOXY)METHYL)-6,7A-DIHYDROSPIRO(CYCLOPENTA-(C)PYRAN-7(1H),2'-OXIRANE)-1,6-DIYL ESTER, (1S-(1-.ALPHA.,6-.ALPHA,,7- .BETA.,7A-.ALPHA.))-
    • ACon0_000478
    • DTXSID501031053
    • AKOS015896850
    • [(1S,6S,7R,7aS)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
    • Baldrisedon
    • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate
    • NS00051977
    • UNII-L3JQ035X9B
    • LMPR0102070015
    • 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran
    • VALTRATE [MART.]
    • CHEBI:9928
    • VALTRATE (MART.)
    • 3a,4-Dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate
    • Q27108520
    • CS-0009735
    • BUTANOIC ACID, 3-METHYL-, 4-((ACETYLOXY)METHYL)-6,7A-DIHYDROSPIRO(CYCLOPENTA-(C)PYRAN-7(1H),2'-OXIRANE)-1,6-DIYL ESTER, (1S-(1-alpha,6-.ALPHA,,7-beta,7A-alpha))-
    • 18296-44-1
    • Halazuchome B
    • Tri(deacyl)valtrate; 1,7-Bis-O-(3-methylbutanoyl), 11-Ac
    • DA-68523
    • MDL: MFCD00868024
    • Inchi: 1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
    • InChI Key: BDIAUFOIMFAIPU-KVJIRVJXSA-N
    • SMILES: O1C[C@@]21[C@H](C=C1C(COC(C)=O)=CO[C@H]([C@H]21)OC(CC(C)C)=O)OC(CC(C)C)=O

Computed Properties

  • Exact Mass: 422.19400
  • Monoisotopic Mass: 422.19406791 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 765
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 101
  • Molecular Weight: 422.5

Experimental Properties

  • Color/Form: Oil
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 525.9±50.0 °C at 760 mmHg
  • Flash Point: 226.5±30.2 °C
  • Refractive Index: 1.528
  • PSA: 100.66000
  • LogP: 2.66210
  • Vapor Pressure: No data available

Valepotriate Security Information

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Valepotriate Suppliers

Amadis Chemical Company Limited
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(CAS:18296-44-1)Valepotriate
Order Number:A880860
Stock Status:in Stock
Quantity:20mg/0.1ml
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:02
Price ($):241.0/179.0

Additional information on Valepotriate

Introduction to Valepotriate (CAS No. 18296-44-1)

Valepotriate, a compound with the chemical identifier CAS No. 18296-44-1, is a well-documented substance that has garnered significant attention in the field of pharmaceutical chemistry and pharmacology. This compound, derived from the roots of several plant species, particularly Aconitum napellus (monkshood), has been utilized for centuries in traditional medicine systems across various cultures. Its unique chemical structure and biological properties have made it a subject of extensive research, leading to promising applications in modern medicine.

The molecular composition of Valepotriate encompasses a complex blend of polyacetylenes and other bioactive derivatives. These components contribute to its multifaceted pharmacological effects, which include anti-inflammatory, analgesic, and sedative properties. Recent advancements in analytical chemistry have enabled a more precise characterization of its chemical profile, facilitating better understanding and utilization in therapeutic contexts.

In recent years, the interest in Valepotriate has been further fueled by its potential role in managing chronic pain conditions. Studies have demonstrated that Valepotriate can interact with various neurotransmitter systems, particularly those involving Substance P and bradykinin, which are key mediators of pain perception. This interaction has been explored in clinical trials as a potential alternative or adjunct therapy for patients suffering from neuropathic and arthritic pain.

Moreover, the anti-inflammatory properties of Valepotriate have been a focus of numerous research initiatives. Preclinical studies have indicated that it can modulate inflammatory pathways by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. These findings are particularly relevant in the context of chronic inflammatory diseases, where conventional treatments may have limited efficacy or undesirable side effects.

The sedative effects of Valepotriate have also been subjects of interest, particularly in the context of sleep disorders. Research suggests that Valepotriate can enhance GABAergic neurotransmission, leading to sedative and anxiolytic effects. This mechanism has been investigated as a potential treatment for insomnia and anxiety-related disorders, offering a natural alternative to synthetic sedatives.

One of the most intriguing aspects of Valepotriate is its ability to exhibit tissue-specific effects. Studies have shown that its pharmacological actions can be modulated by factors such as pH levels and enzymatic activity within different biological compartments. This property makes Valepotriate a promising candidate for targeted drug delivery systems, where its bioavailability and therapeutic efficacy can be optimized for specific clinical applications.

The synthesis and purification of Valepotriate have also seen significant advancements in recent years. Modern techniques in organic chemistry have enabled the development of more efficient synthetic routes, allowing for higher yields and purities of the compound. Additionally, high-performance liquid chromatography (HPLC) and mass spectrometry (MS) have become indispensable tools for characterizing its chemical structure and assessing its quality.

The pharmacokinetic profile of Valepotriate has been extensively studied to understand how it is absorbed, distributed, metabolized, and excreted by the body. These studies have revealed that Valepotriate exhibits moderate bioavailability upon oral administration but can be significantly enhanced when used in combination with certain excipients or delivery systems. This knowledge is crucial for developing formulations that maximize therapeutic outcomes while minimizing potential side effects.

In conclusion, Valepotriate (CAS No. 18296-44-1) represents a fascinating compound with diverse pharmacological applications. Its traditional roots combined with modern scientific exploration highlight its potential as a therapeutic agent in various medical conditions. As research continues to uncover new insights into its mechanisms of action and optimal utilization strategies, Valepotriate is poised to play an increasingly important role in contemporary medicine.

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Amadis Chemical Company Limited
(CAS:18296-44-1)Valepotriate
A880860
Purity:99%/99%
Quantity:20mg/0.1ml
Price ($):241.0/179.0
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