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

CAS: 3978-86-7 Cat. No.: A129250 Peso molecular: 522.55 Número EC: 223-615-8 PubChem CID: 5281066

GRADE & PURITY ≥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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

Histamine H1 receptor antagonist

Nota

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195224
• Sonrisas canónicas: 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-
• Isómeros 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
• Peso molecular: 522.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzocycloheptapyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 105 mg/mL Water 105 mg/mL Ethanol <1 mg/mL
• Peso molecular: 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

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