Azatadine dimaleate - ≥98% , Histamine H1 receptor antagonist, CAS No.3978-86-7, Histamine H1 receptor antagonist

CAS: 3978-86-7 Cat. No.: A129250 Summenformel: C₂₀H₂₂N₂.2C₄H₄O₄ Molekulargewicht: 522.55 EG-Nummer: 223-615-8 PubChem CID: 5281066

QUALITÄT & REINHEIT ≥98%

Synonyms

Optimine | AZATADINE MALEATE COMPONENT OF TRINALIN | UNII-F3Q391WTX7 | SCH10649 | SCH-10649 | AS-16886 | Optimine (TN) | SCHEMBL450675 | Zadine | DTXSID301027735 | AZATADINEMALEATE(200MG) | TRINALIN COMPONENT AZATADINE MALEATE | A851216 | (Z)-but-2-enedio

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

Optimine | AZATADINE MALEATE COMPONENT OF TRINALIN | UNII-F3Q391WTX7 | SCH10649 | SCH-10649 | AS-16886 | Optimine (TN) | SCHEMBL450675 | Zadine | DTXSID301027735 | AZATADINEMALEATE(200MG) | TRINALIN COMPONENT AZATADINE MALEATE | A851216 | (Z)-but-2-enedio

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Potent, competitive H 1 receptor antagonist (IC 50 = 6.5 nM) and 5-HT antagonist. Shows anticholinergic effects (IC 50 = 11 nM). 5-HT antagonist. Inhibits mast cell degranulation. Shows antiallergic and sedative effects in vivo. Orally active.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Histamine H1 receptor antagonist

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488195224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195224

Kanonisches Lächeln

CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

IUPAC Name

(Z)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

InChIKey

SGHXFFAHXTZRQM-SPIKMXEPSA-N

INCHI

1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

Isomere SMILES

CN1CCC(=C2C3=C(C=CC=N3)CCC4=CC=CC=C24)CC1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

PubChem CID

5281066

Molekulargewicht

522.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzocycloheptapyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzocycloheptapyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzocycloheptapyridines
• Alternative Parents: Unsaturated fatty acids Pyridines and derivatives Piperidines Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzocycloheptapyridine - Dicarboxylic acid or derivatives - Piperidine - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
• External Descriptors: maleate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 105 mg/mL Water 105 mg/mL Ethanol <1 mg/mL
• Molekulargewicht: 522.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 522.2 Da
• Monoisotopic Mass: 522.2 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 536.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3978-86-7, the molecular formula is C28H30N2O8, and the molecular weight is 522.55 g/mol. InChIKey SGHXFFAHXTZRQM-SPIKMXEPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.