Iminodibenzyl - ≥97% , CAS No.494-19-9

CAS: 494-19-9 Cat. No.: I120149 Fórmula: C₁₄H₁₃N Peso molecular: 195.26 Beilstein Registry Number: 152732 Número CE: 207-787-1

GRAU & PUREZA ≥97%

Synonyms

10,11-Dihydro-5H-dibenz[b,f]azepine|CARBAMAZEPINE IMPURITY E [IP]|TRIMIPRAMINE MALEATE IMPURITY F [EP IMPURITY]|10,11-Dihydrodibenz(b,f)azepine|10,11-Dihydro-5H-dibenz [b,f]azepine|10,11-DIHYDRO-5H-DIBENZ(B.F)AZEPINE|10,11-Dihydro-5H-dibenz(b,f)azepine|6,11-dihydro-5H-benzo[b][1]benzazepine|5H-Dibenz[b,f]azepine, 10,11-dihydro-|CARBAMAZEPINE IMPURITY E [EP IMPURITY]|10,11-Dihydrodibenz[b,f]azepine|5H-Dibenz(b,f)azepine, 10,11-dihydro-|10,11-Dihydro-5-dibenz(b,f)azepine|2,2'-Iminobibenzyl|5H-Dibenz[b, 10,11-dihydro-|10,f]azepine|CLOMIPRAMINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]|2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene|IMINODIBENZYL TRIMIPRAMINE [USP IMPURITY]|5H-Dibenzo[b,f]azepine, 10,11-dihydro-|Clomipramine HCl EP Impurity E|Iminodibenzyl (10,11-Dihydro-5H-dibenzo[b,f]azepine)|2,2'-Iminodibenzyl|Iminobibenzyl|RP 23669|2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene|Iminodibenzyl|Carbamazepine impurity E|10,11-Dihydro-5H-dibenzo[b,f]azepine|Iminodibenzyyl|10,11-Dihydro-5H-dibenzo[b,f]azepine #|10,11-DIHYDRO-5H-DIBENZO(B,F)AZEPINE

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

10,11-Dihydro-5H-dibenz[b,f]azepine | CARBAMAZEPINE IMPURITY E [IP] | TRIMIPRAMINE MALEATE IMPURITY F [EP IMPURITY] | 10,11-Dihydrodibenz(b,f)azepine | 10,11-Dihydro-5H-dibenz [b,f]azepine | 10,11-DIHYDRO-5H-DIBENZ(B.F)AZEPINE | 10,11-Dihydro-5H-dibenz(b,f)azepine | 6,11-dihydro-5H-benzo[b][1]benzazepine | 5H-Dibenz[b,f]azepine, 10,11-dih Show more

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488181112

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181112

Sorrisos canónicos

C1CC2=CC=CC=C2NC3=CC=CC=C31

IUPAC Name

6,11-dihydro-5H-benzo[b][1]benzazepine

InChIKey

ZSMRRZONCYIFNB-UHFFFAOYSA-N

INCHI

1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2

SMILES isoméricas

C1CC2=CC=CC=C2NC3=CC=CC=C31

WGK Alemanha

3

RTECS

HN8950000

Peso molecular

195.26

Beilstein

152732

Reaxy-Rn

152732

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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

Alvos associados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

Discover Target: HTR3A

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

U-937 (7138 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 107°C
• Peso molecular: 195.260 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.105 Da
• Monoisotopic Mass: 195.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 494-19-9, the molecular formula is C14H13N, and the molecular weight is 195.26 g/mol. InChIKey ZSMRRZONCYIFNB-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.