Dibenzosuberone - ≥98%(GC) , CAS No.1210-35-1

CAS: 1210-35-1 Cat. No.: D154573 Peso molecular: 208.26 Número EC: 214-912-3

GRADE & PURITY ≥98%(GC)

Synonyms

GS-3306 | 10,11-Dihydrodibenzo(a,d)cycloheptanone | NSC 49727 | 10,11-dihydro-5H-dibenzo[a,d]-cyclohepten-5-one | 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one | Dibenzo(a,d)cycloheptadien-5-one | SY015231 | Amitriptyline Impurity A | Dibenzo[a,4]dien-5-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

GS-3306 | 10, 11-Dihydrodibenzo(a, d)cycloheptanone | NSC 49727 | 10, 11-dihydro-5H-dibenzo[a, d]-cyclohepten-5-one | 10, 11-Dihydro-5H-dibenzo[a, d]cyclohepten-5-one | Dibenzo(a, d)cycloheptadien-5-one | SY015231 | Amitriptyline Impurity A | Dibenzo[a, 4]dien-5-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752576
• Sonrisas canónicas: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• IUPAC Name: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
• InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N
• INCHI: 1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
• Isómeros SMILES: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• RTECS: HP1149700
• Peso molecular: 208.26
• Reaxy-Rn: 1454355
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1454355&ln=

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: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic 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: 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

Objetivos asociados (humanos)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (0.03g/L at 20°C).
• Índice de refracción: 1.63
• Punto de ebullición (°C): 148°C/0.3mmHg
• Punto de fusión (°C): 32-34 °C
• Peso molecular: 208.250 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 208.089 Da
• Monoisotopic Mass: 208.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• 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