CAS Number64118-84-9
Synonyms4'-Hydroxy Diclofenac; 4'-hydroxydiclofenac; 4'-Hydroxy Diclofenac; {2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15
Purity98.00%
Density1.5±0.1 g/cm3
Boiling Point432.7±45.0 °C at 760 mmHg
Melting Point178-185ºC dec.
Appearanceliquid
EINECS200-835-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 64118-84-9 |
| Catalog No. | 2A-9046027 |
| Chinese Name | 2-((2,6-二氯-4-羟基苯基)氨基)苯乙酸 |
| Synonyms | 4'-Hydroxy Diclofenac; 4'-hydroxydiclofenac; 4'-Hydroxy Diclofenac; {2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid |
| Molecular Formula | C14H11Cl2NO3 |
| Molecular Weight | 312.15 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 432.7±45.0 °C at 760 mmHg |
| Melting Point | 178-185ºC dec. |
| Appearance | liquid |
| Water Solubility | Soluble in DMSO, ethanol or methanol |
| Storage Condition | −20°C |
| Application | 4'-Hydroxy diclofenac is a metabolite of orally active Diclofenac (HY-15036) via cytochrome P450 2C9 (CYP2C9). 4'-Hydroxy diclofenac has anti-inflammatory and analgesic properties. |
| EINECS | 200-835-2 |
| HTC | 2922509090 |
| PubChem ID | 10237240 |
| SMILES | OC(=O)Cc1ccccc1Nc2c(Cl)cc(O)cc2Cl |
| InChI | 1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20) |
| InChI Key | KGVXVPRLBMWZLG-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/46027_1_64118_84_9.pdf |
| Bioactivity | 4'-Hydroxy diclofenac is an orally active metabolite of Diclofenac (HY-15036) by cytochrome P450 2C9 (CYP2C9). 4'-Hydroxy diclofenac has anti-inflammatory and analgesic properties[1][2]. Related Catalog Research Areas >> Inflammation/Immunology Research Areas >> Neurological Disease In Vivo A single oral administration of Diclofenac to humanized mice, the unchanged drug in plasma peaks at 0.25 hour and then declines with a half-life (t1/2) of 2.4 hours. 4'-Hydroxy diclofenac also peaks at 0.25 hour and is undetectable within 24 hours. The plasma concentration of unchanged 4'-Hydroxy diclofenac peaks at 0.25 hour and declines rapidly in Humanized chimeric mice received of 4'-Hydroxy diclofenac (10 mg/kg; a single oral)[2]. References [1]. J Shimamoto, et al. Lack of Differences in Diclofenac (A Substrate for CYP2C9) Pharmacokinetics in Healthy Volunteers With Respect to the Single CYP2C9*3 Allele. Eur J Clin Pharmacol. 2000 Apr;56(1):65-8. [2]. Hidetaka Kamimura, et al. Formation of the Accumulative Human Metabolite and Human-Specific Glutathione Conjugate of Diclofenac in TK-NOG Chimeric Mice With Humanized Livers. Drug Metab Dispos. 2015 Mar;43(3):309-16. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 432.7±45.0 °C at 760 mmHg Melting Point 178-185ºC dec. Molecular Formula C14H11Cl2NO3 Molecular Weight 312.148 Flash Point 215.5±28.7 °C Exact Mass 311.011597 PSA 69.56000 LogP 4.56 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.690 InChIKey KGVXVPRLBMWZLG-UHFFFAOYSA-N SMILES O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl Storage condition −20°C Water Solubility Soluble in DMSO, ethanol or methanol |
| Use of | Properties Name 4'-hydroxydiclofenac Synonym More Synonyms 4'-Hydroxy diclofenac Biological Activity Related Catalog Research Areas >> Inflammation/Immunology Research Areas >> Neurological Disease References [2]. Hidetaka Kamimura, et al. Formation of the Accumulative Human Metabolite and Human-Specific Glutathione Conjugate of Diclofenac in TK-NOG Chimeric Mice With Humanized Livers. Drug Metab Dispos. 2015 Mar;43(3):309-16. Chemical & Physical Properties Exact Mass 311.011597 PSA 69.56000 Index of Refraction 1.690 InChIKey KGVXVPRLBMWZLG-UHFFFAOYSA-N Water Solubility Soluble in DMSO, ethanol or methanol |
| Tax Rebate | 13.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Hygiene supervision and inspection of imported food S. Hygiene supervision and inspection of exported food |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (4'-Hydroxydiclofenac) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (4'-Hydroxydiclofenac) International air transport hazard regulations: Toxic solid, organic, n.o.s. (4'-Hydroxydiclofenac) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: No Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users No data available |
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