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

CAS: 1210-35-1 Cat. No.: D154573 分子式: C₁₅H₁₂O 分子量: 208.26 EC番号: 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

同義語

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-

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 504752576
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752576
• カノニカル・スマイル: 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
• 異性体SMILES: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• RTECS: HP1149700
• 分子量: 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
    • 分類 Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (0.03g/L at 20°C).
• 屈折率: 1.63
• 沸点（°C）: 148°C/0.3mmHg
• 融点（°C）: 32-34 °C
• 分子量: 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