AT 1015 - ≥97%(HPLC) , CAS No.190508-50-0

CAS: 190508-50-0 Cat. No.: A286843 Fórmula: C₂₉H₃₃N₃O₂•HCl Peso molecular: 492.05

GRADE & PURITY ≥97%(HPLC)

Synonyms

AT1015 | OO0X01E9MJ | 4-Piperidinacarboxamida, N-(2-(4-(5H-dibenzo(a,d)ciclohepten-5-ilideno)-1-piperidinil)etil)-1-formil-, cloridrato (1:1) | AT-1015 HCl anidro | AT 1015 | N-[2-[4-(5H-Dibenzo[a,d]ciclohepten-5-ilideno)-1-piperidinil]etil]-1-for

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

AT1015 | OO0X01E9MJ | 4-Piperidinacarboxamida, N-(2-(4-(5H-dibenzo(a,d)ciclohepten-5-ilideno)-1-piperidinil)etil)-1-formil-, cloridrato (1:1) | AT-1015 HCl anidro | AT 1015 | N-[2-[4-(5H-Dibenzo[a,d]ciclohepten-5-ilideno)-1-piperidinil]etil]-1-for

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Long-acting 5-HT2Areceptor antagonist; inhibits vasoconstriction and blocks platelet aggregation. Prolongs clotting time in a rat model of thrombus formation; ameliorates laurate-induced peripheral vascular lesions in rodents.

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Tipo de ação

ANTAGONIST

Pureza

≥97%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.Cl
• IUPAC Name: 1-formyl-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]piperidine-4-carboxamide;hydrochloride
• InChIKey: YZHGXYNLMHGNJZ-UHFFFAOYSA-N
• INCHI: 1S/C29H33N3O2.ClH/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28;/h1-10,21,25H,11-20H2,(H,30,34);1H
• SMILES isoméricas: C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.Cl
• Peso molecular: 492.05
• Reaxy-Rn: 9177130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9177130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Piperidinecarboxamides Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzocycloheptene - Piperidinecarboxamide - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrição: 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: 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

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 49.2, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 49.2, Max Conc. mM: 100
• Peso molecular: 492.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 491.234 Da
• Monoisotopic Mass: 491.234 Da
• Topological Polar Surface Area: 52.700 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 744.000
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 190508-50-0, the molecular formula is C29H33N3O2?HCl, and the molecular weight is 492.05 g/mol. InChIKey YZHGXYNLMHGNJZ-UHFFFAOYSA-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.