Cyproheptadine hydrochloride sesquihydrate - 10mM in DMSO , CAS No.41354-29-4

CAS: 41354-29-4 Cat. No.: C423874 Peso molecular: 350.88 Número EC: 623-762-1 PubChem CID: 11954233

GRADE & PURITY 10mM in DMSO

Synonyms

Cyproheptadine hydrochloride sesquihydrate|41354-29-4|Peritol|NJ82J0F8QC|Periactine|1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;trihydrate;dihydrochloride|cyproheptadine hydrochloride hydrate|4-(5H-Dibenzo[a,d

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Cyproheptadine hydrochloride sesquihydrate | 41354-29-4 | Peritol | NJ82J0F8QC | Periactine | 1-methyl-4-(2-tricyclo[9.4.0.03, 8]pentadeca-1(15), 3, 5, 7, 9, 11, 13-heptaenylidene)piperidine;trihydrate;dihydrochloride | cyproheptadine hydrochloride hydrate | 4-(5H-Dibenzo[a, d

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Potent H 1 and 5-HT 2B antagonist (K i and pK i values are 10 and 1.4 nM, respectively). Non-selective receptor antagonist (shows high potency (low nM) at other 5-HT, dopamine and muscarinic acetylcholine receptors.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.O.O.O.Cl.Cl
• IUPAC Name: 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;trihydrate;dihydrochloride
• InChIKey: ZEAUHIZSRUAMQG-UHFFFAOYSA-N
• INCHI: 1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2
• Isómeros SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.O.O.O.Cl.Cl
• WGK Alemania: 3
• RTECS: TM7050000
• PubChem CID: 11954233
• Peso molecular: 350.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Piperidines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Dibenzocycloheptene - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• External Descriptors: hydrate

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

Propiedades químicas y físicas

• Peso molecular: 701.800 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 700.32 Da
• Monoisotopic Mass: 700.32 Da
• Topological Polar Surface Area: 9.500 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 423.000
• 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: 7

XLogP3