Cyproheptadine hydrochloride sesquihydrate - ≥98% , CAS No.41354-29-4

CAS: 41354-29-4 Cat. No.: C101491 Molecular Weight: 350.88 EC Number: 623-762-1 PubChem CID: 11954233

GRADE & PURITY ≥98%

Synonyms

Peritol | 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate | Concor Plus Forte | Cyproheptadine Hydrochloride Sesquihydrate; Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Peritol | 4-(5H-Dibenzo[a, d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate | Concor Plus Forte | Cyproheptadine Hydrochloride Sesquihydrate; Piperidine, 4-(5H-dibenzo[a, d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Room temperature

Shipped In

Normal

Note

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197800
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197800
• Canonical 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
• 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
• Isomeric 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 Germany: 3
• RTECS: TM7050000
• PubChem CID: 11954233
• Molecular Weight: 350.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Very soluble in Methanol; Soluble in Chloroform; Slightly soluble in Ethanol; Insoluble in Ether
• Molecular Weight: 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

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