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

CAS: 1210-35-1 Cat. No.: D154573 Molecular Weight: 208.26 EC Number: 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

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-

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752576
• Canonical Smiles: 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
• Isomeric SMILES: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• RTECS: HP1149700
• Molecular Weight: 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
    • Class Dibenzocycloheptenes

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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (0.03g/L at 20°C).
• Refractive Index: 1.63
• Boil Point(°C): 148°C/0.3mmHg
• Melt Point(°C): 32-34 °C
• Molecular Weight: 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