Esmirtazapine - ≥99% , CAS No.61337-87-9

CAS: 61337-87-9 Cat. No.: E1061760 Formule: C₁₇H₁₉N₃ Poids moléculaire: 265.35 PubChem CID: 3085218

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
• IUPAC Name: (7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
• InChIKey: RONZAEMNMFQXRA-MRXNPFEDSA-N
• INCHI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1
• Isomères SMILES: CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4
• PubChem CID: 3085218
• Poids moléculaire: 265.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperazinoazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperazinoazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazinoazepines
• Alternative Parents: Benzazepines Dialkylarylamines N-methylpiperazines Azepines Aralkylamines Pyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Piperazino-azepine - Dialkylarylamine - Azepine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Imidolactam - Benzenoid - Pyridine - Piperazine - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazinoazepines. These are compounds containing a piperazinoazepine skeleton, which consists of an azepine ring fused to a piperazine.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Poids moléculaire: 265.350 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 265.158 Da
• Monoisotopic Mass: 265.158 Da
• Topological Polar Surface Area: 19.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 61337-87-9, the molecular formula is C17H19N3, and the molecular weight is 265.35 g/mol. InChIKey RONZAEMNMFQXRA-MRXNPFEDSA-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.