4,5-Dichlorolichexanthone
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| Category | Others |
| Catalog number | BBF-05267 |
| CAS | 68048-37-3 |
| Molecular Weight | 355.17 |
| Molecular Formula | C16H12Cl2O5 |
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Description
It is a member of xanthones.
Specification
| Synonyms | 4,5-Dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one |
| IUPAC Name | 4,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one |
| Canonical SMILES | CC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)Cl)Cl)OC |
| InChI | InChI=1S/C16H12Cl2O5/c1-6-4-8(21-2)12(17)15-10(6)14(20)11-7(19)5-9(22-3)13(18)16(11)23-15/h4-5,19H,1-3H3 |
| InChI Key | NLYYFZSTYOXXTD-UHFFFAOYSA-N |
Properties
| Appearance | Yellow Prisms |
| Boiling Point | 546.5±50.0°C at 760 mmHg |
| Density | 1.5±0.1 g/cm3 |
Reference Reading
1. 1,1'-Bis(4-fluoro-phen-yl)-3,3'-diisobutyl-4,4'-diphen-oxy-1H,1'H-4,4'-bipyrazole-5,5'(4H,4'H)-dione
Hoong-Kun Fun, Madhukar Hemamalini, R Venkat Ragavan, V Vijayakumar, M Venkatesh Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1036. doi: 10.1107/S1600536811011664. Epub 2011 Apr 7.
In the title compound, C(38)H(36)F(2)N(4)O(4), the pyrazole rings form dihedral angles of 50.02 (4) and 18.05 (4)° with their attached fluorobenzene rings, and make dihedral angles of 76.08 (4) and 73.54 (5)° with the aromatic ring of the attached phen-oxy group. In the crystal, the molecules are connected by weak C-H⋯π inter-actions.
2. N-Phenyl-N-{4-[5-(4-pyrid-yl)-1,3,4-oxadiazol-2-yl]phen-yl}aniline
Li-Ping Han, Bin Li, Jie Liu Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 12;64(Pt 1):o242. doi: 10.1107/S1600536807065245.
The title compound, C(25)H(18)N(4)O, is a non-planar bipolar ligand containing triphenyl-amine and 1,3,4-oxadiazole units. In the mol-ecule, the benzene ring, the 1,3,4-oxadiazole ring, and the pyridine ring are twisted slightly with respect to each other [dihedral angle between the benzene and 1,3,4-oxadiazole rings = 9.4 (4) and between the 1,3,4-oxadiazole and pyridine rings = 3.0 (4)°]. Moreover, the dihedral angles between the two phenyl rings and the benzene ring are 88.2 (4) and 113.3 (4)°, and that between the two phenyl rings is 67.9 (4)°. The closest distances between the pyridine ring and the 1,3,4-oxadiazole and benzene rings in adjacent mol-ecules are 3.316 and 3.363 Å, respectively, indicating the existence of π-π inter-actions.
3. 4-methyl-5-(4-methylphenyl)-4,5-dihydrooxazol-2-amine (4,4'-DMAR, 4,4'-dimethylaminorex): availability, prevalence of use, desired effects and acute toxicity
James Glanville, Paul I Dargan, David M Wood Hum Psychopharmacol. 2015 May;30(3):193-8. doi: 10.1002/hup.2472. Epub 2015 Mar 18.
Objective: 4-Methyl-5-(4-methylphenyl)-4,5-dihydrooxazol-2-amine (4,4'-dimethylaminorex (4,4'-DMAR)) is a derivative of the controlled substances aminorex and 4-methylaminorex marketed as a potential novel psychoactive substance. This paper brings together the published scientific and 'grey' literature to understand 4,4'-DMAR as a novel psychoactive substance. Methods: Searches of the published scientific and 'grey' literature, using the keywords '4-methyl-euphoria', '4-methyl-U4Euh', '4-M-4-MAR', '4,4-dimethylaminorex', '4,4'-DMAR', 'para-methyl-4-aminorex' and 'Serotoni', were undertaken to identify information on the availability, prevalence of use and desired/unwanted effects of 4,4'-DMAR. Results: No studies have reported the prevalence of use of 4,4'-DMAR. Internet snapshot studies in April and May 2014 showed availability of 4,4'-DMAR from one and two Internet suppliers respectively. Price decreased with increasing purchase amounts from €12/g for a 1-g purchase to €2.20/g for a 100-g purchase in April 2014. Internet discussion fora suggest that the desired and unwanted effects of 4,4'-DMAR are similar to those seen with other sympathomimetic drugs such as 3,4-methylenedioxy-methamphetamine and mephedrone, although the duration of unwanted effects and 'comedown' appear to be longer. Unwanted effects were reported at doses of 5-200 mg, which overlaps with the reported doses (10-200 mg) associated with desired effects. 4,4'-DMAR has been detected, along with other drugs, in 27 deaths in Europe; the contribution of the 4,4'-DMAR in these deaths has not been established. Conclusions: Currently, there appears to limited availability of 4,4'-DMAR; therefore, use is likely to be low. Its desired and unwanted effects appear similar to other sympathomimetic recreational drugs such as methylenedioxy-methamphetamine or mephedrone.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
