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2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone

$320

  • Brand : BIOFRON

  • Catalogue Number : BN-O1131

  • Specification : 98%(HPLC)

  • CAS number : 52346-14-2

  • Formula : C16H17NO2

  • Molecular Weight : 255.31

  • PUBCHEM ID : 10879687

  • Volume : 5mg

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Catalogue Number

BN-O1131

Analysis Method

Specification

98%(HPLC)

Storage

2-8°C

Molecular Weight

255.31

Appearance

Botanical Source

Structure Type

Category

SMILES

C1CN(CC2C1CC(=O)C=C2)C(=O)C3=CC=CC=C3

Synonyms

B2360/(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone

IUPAC Name

(4aS,8aS)-2-benzoyl-1,3,4,4a,5,8a-hexahydroisoquinolin-6-one

Density

1.18g/cm3

Solubility

Flash Point

205.4ºC

Boiling Point

444.4ºC at 760 mmHg

Melting Point

InChl

InChl Key

KIGUODXTRRRCCD-KBPBESRZSA-N

WGK Germany

RID/ADR

HS Code Reference

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:52346-14-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

30986235

Abstract

Background
Antidepressants are frequently used in older patients with depression, but little is known about the comparative safety of individual agents. The objective of the study was to determine the comparative risk of death of antidepressants in older patients with depression.

Methods and findings
We carried out a cohort study from 2004 to 2015 utilizing the German Pharmacoepidemiological Research Database, a population-based database supplied by statutory health insurance providers covering approximately 17% of the general population and all geographical regions. We included 376,846 patients aged 65+ years with a diagnosis of depression who initiated treatment with one of 13 antidepressants (ADs). In total 27,019 patients died during follow-up corresponding to a rate of 119.7 per 1,000 person years. We used proportional hazards models to estimate hazard ratios (HRs) with 95% confidence intervals (CIs) for the risk of death for twelve ADs compared to citalopram. In the primary analysis, we found an increased risk of death associated with the use of amitriptyline (HR 1.15, 95%CI: 1.10-1.20). However, opipramol, trimipramine, doxepin, mirtazapine, fluoxetine, paroxetine, duloxetine, venlafaxine, and St. John’s wort were found to be associated with a lower risk of death. The increased risk of amitriptyline diminished after exclusion of patients with a history of cancer (HR 0.88, 95%CI: 0.82-0.94) and after high-dimensional propensity score (HdPS) adjustment (HR 1.04, 95%CI: 0.95-1.14). In older patients and in those with dementia, differences in risk between most individual ADs and citalopram were smaller. After adjustment by HdPS, the decreased risks for fluoxetine, paroxetine, venlafaxine and mirtazapine compared to citalopram disappeared.

Conclusions
This study suggests that ADs recommended as first-line treatment in patients with depression have a similar safety profile with regard to the risk of death, especially in very old patients and in those with dementia. Further research is needed to investigate the risk of death for individual ADs in specific subgroups such as patients with cancer or cardiovascular disease.

Title

Antidepressants and the risk of death in older patients with depression: A population-based cohort study

Author

Bianca Kollhorst, Conceptualization, Formal analysis, Methodology, Writing - original draft,1,* Kathrin Jobski, Conceptualization, Methodology, Writing - review & editing,2 Jutta Krappweis, Writing - review & editing,3 Tania Schink, Methodology, Writing - review & editing,1 Edeltraut Garbe, Conceptualization, Funding acquisition, Writing - review & editing,1 and Niklas Schmedt, Conceptualization, Methodology, Project administration, Supervision, Writing - review & editing4 Kenji Hashimoto, Editor

Publish date

2019;

PMID

29152370

Abstract

The title compound, C25H27NO4 (I), the product of the unusual thermolysis of aza­cyclic allene methyl 10,11-dimeth­oxy-3,8-dimethyl-6-phenyl-3-aza­benzo[d]cyclo­deca-4,6,7-triene-5-carboxyl­ate, represents a bicyclic heterosystem and crystallizes in the monoclinic space group P21/c with three crystallographically independent mol­ecules in the unit cell. These independent mol­ecules adopt very similar geometries and differ only in the conformations of the two meth­oxy substituents on the benzene ring. In two of the three independent mol­ecules, both meth­oxy groups are almost coplanar with the benzene ring [the C—C—O—Me torsion angles are 10.8 (2), 12.3 (2), 9.1 (2) and 13.6 (3)°], whereas in the third mol­ecule, one of the meth­oxy groups is practically coplanar to and the other meth­oxy group is roughly perpendicular to the benzene ring, the C—C—O—Me torsion angles being 14.1 (2) and 76.5 (2)°. The mol­ecule of (I) comprises a fused tetra­cyclic system containing two five-membered rings (cyclo­pentenes) and two six-membered rings (piperidine and benzene). The five-membered rings have the usual envelope conformation, with the methyl-subsituted C atom as the flap in each molecule, and the six-membered piperidine ring has a chair conformation. The methyl substituent at the N atom occupies the sterically favourable equatorial position. The carboxyl­ate group lies almost within the basal plane of the parent cyclo­pentene ring [making dihedral angle of 11.68 (8), 18.94 (9) and 15.16 (9)° in the three independent mol­ecules], while the phenyl substituent is twisted by 48.26 (6), 42.04 (6) and 41.28 (6)° (for the three independent mol­ecules) relative to this plane. In the crystal, mol­ecules of (I) form stacks along the b-axis direction. The mol­ecules are arranged at van der Waals distances.

KEYWORDS

crystal structure, aza­cyclic allenes, thermolysis, microwave synthesis, (epimino­methano)­cyclo­penta­[a]indene, 3-benzazepine, synchrotron X-ray diffraction

Title

Unusual thermolysis of aza­cyclic allene under microwave conditions: crystal structure of (3RS,3aSR,8RS,8aRS)-methyl 5,6-dimeth­oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra­hydro-3,8-(epimino­methano)­cyclo­penta­[a]indene-2-carboxyl­ate from synchrotron X-ray diffraction

Author

Le Tuan Anh,a,* Alexander A. Titov,b Maxim S. Kobzev,b Leonid G. Voskressensky,b Alexey V. Varlamov,b Pavel V. Dorovatovskii,c and Victor N. Khrustalevd

Publish date

2017 Oct 24

PMID

31417788

Abstract

The crystal structure of the title compound, [Ni(C63H31F10N5S2)]·xCH2Cl2 (x > 1/2), consists of Ni-porphyrin complexes that are located in general positions and di­chloro­methane solvent mol­ecules that are disordered around centers of inversion. The NiII ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N4 plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N4 plane with an angle of inter­section between the planes planes of 80.48 (6)°. The di­chloro­methane solvent mol­ecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C—H⋯S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional di­chloro­methane solvent mol­ecules are embedded. These solvent mol­ecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9-18].

KEYWORDS

crystal structure, nickel porphyrin, square-pyramidal coordination, hydrogen bonding

Title

Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination

Author

Florian Gutzeit, Christian Nather, Rainer Herges

Publish date

2019 Aug 1;


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