8-Chlorazatadin - ≥95% , CAS No.38092-89-6

CAS: 38092-89-6 Cat. No.: C193099 Summenformel: C₂₀H₂₁ClN₂ Molekulargewicht: 324.85 EG-Nummer: 641-012-1

GRADE & PURITY ≥95%

Synonyms

70V8053T5G | 8-Chloro-5,6-dihydro-11H-benzo[5,6]Cyclohepto[1,2-b]pyridine-11-one | N-Methyl Desloratadine | N-Methyldesloratadine | SY110869 | MFCD06411084 | DTXSID40191502 | VLXSCTINYKDTKR-UHFFFAOYSA-N | 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dih

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

70V8053T5G | 8-Chloro-5,6-dihydro-11H-benzo[5,6]Cyclohepto[1,2-b]pyridine-11-one | N-Methyl Desloratadine | N-Methyldesloratadine | SY110869 | MFCD06411084 | DTXSID40191502 | VLXSCTINYKDTKR-UHFFFAOYSA-N | 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dih

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508814888
• Kanonisches Lächeln: CN1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
• IUPAC Name: 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
• InChIKey: VLXSCTINYKDTKR-UHFFFAOYSA-N
• INCHI: 1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
• Isomere SMILES: CN1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
• Molekulargewicht: 324.85
• Reaxy-Rn: 826434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=826434&ln=

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: Pyridines and derivatives Piperidines Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzocycloheptapyridine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen 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: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 324.800 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 324.139 Da
• Monoisotopic Mass: 324.139 Da
• Topological Polar Surface Area: 16.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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