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(o-(-2,6-Dichloranilino)phenyl)-essigsäure, Natrium-Salz

Diclofenac sodium salt, analytical standard

HCID 9818469
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Grundinformationen

CAS
15307-79-6
Standard-SMILES
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na]
InChIKey
VSFBPYWDRANDLM-UHFFFAOYSA-N
Summenformel
C14H11Cl2NNaO2
Durchschnittliche Molmasse
319,1 g/mol
Monoisotopische Masse
318,0064533

Überblick

See also: Diclofenac sodium (annotation moved to); Diclofenac (annotation moved to); Diclofenac Diethylamine (annotation moved to).

Namen und Bezeichner

Bevorzugter Name
Diclofenac sodium salt, analytical standard
Lokaler Name
(o-(-2,6-Dichloranilino)phenyl)-essigsäure, Natrium-Salz
Englischer Name
Diclofenac sodium
Summenformel
C14H10Cl2NNaO2
Molmasse
318.13

Namen und Synonyme

2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid sodium saltDiclofenac sodium salt, analytical standardDiclofenac sodium salt, certified reference material, TraceCERT(R)Diclofenac sodium, European Pharmacopoeia (EP) Reference StandardDiclofenac sodium, United States Pharmacopeia (USP) Reference StandardDiclofenac for system suitability, European Pharmacopoeia (EP) Reference StandardDiclofenac sodium salt, Pharmaceutical Secondary Standard; Certified Reference MaterialDICLOFENAC SODIUM SALTVOLTARENSolarazetsudohminDiclofenac Sodiu
Weitere Namen anzeigen
Aceclofenac EP IMpurity ASODIUM 2-(2,6-DICHLOROANILINO)PHENYLACETATEsodium 2-[2-(2,6-dichloroanilino)phenyl]acetateN-(2,6-Dichlorophenyl)-o-aminophenylacetic acid sodium saltNaclof

Datenbank-Bezeichner

CAS
15307-79-6
PubChem CID
9818469

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
49,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
20
Formalladung
0
Komplexität
304

Physikochemische Eigenschaften

Schmelzpunkt
288 · 288-290°C
Dichte
0.781 g/cm3 · 0.781 g/cm3
storage temp.
room temp
Löslichkeit
2 O: · H2O: 50 mg/mL
pka
4 · 4(at 25℃)
Aggregatzustand
White solid
Farbe
White to Almost white
Biologische Quelle
synthetic
Wasserlöslichkeit
50 mg/ml · Soluble in water to 50mg/ml.
Merck
14 · 14,3081
BCS Class
2 · 2
Stabilität
Stable.
Major Application
forensics and toxicologypharmaceutical (small molecule)
InChI
InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
InChIKey
KPHWPUGNDIVLNH-UHFFFAOYSA-M
SMILES
C1(=CC=CC=C1CC([O-])=O)NC1=C(Cl)C=CC=C1Cl.[Na+]
CAS Datenbank
15307 · 15307-79-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29224999
RTECS-Nr.
AG6330000
risk_code
25-36/37/38-63
Toxizität
LD50 in mice, rats (mg/kg): ~390, 150 orally (Krupp)
hazard_code
T,Xi
safety_code
22-36/37-45-36-26-60-20
hazard_class
6.1(b)
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 OralAquatic Chronic 2Repr. 2STOT RE 1

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungDiclofenac is a non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor (IC50s = 0.9-2.7 and 1.5-20 μM, for human COX-1 and COX-2, respectively). It is also an active metabolite of diclofenac methyl ester and diclofenac amide . Diclofenac inhibits release of arachidonic acid (Item Nos. 90010 | 90010.1 | 10006607) induced by A23187 in isolated rat peritoneal neutrophils and macrophages (IC50s = 60 and 10 μM, respectively). Transdermal administration of diclofenac inhibits carrageenan-induced paw edema in rats. Formulations containing diclofenac have been used in the treatment of pain associated with osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis.

HistoryDiclofenac sodium is a classic nonsteroidal anti-inflammatory drug (NSAID), known for its potent antipyretic, analgesic, and anti-inflammatory effects, and is marketed under brand names such as Voltaren. Its discovery and widespread use have had a profound impact on the treatment of pain and inflammation.Discovery and Patent (1965): Diclofenac sodium was synthesized by a team of researchers Rudolf Pfister and Alfred Sallmann at the Swiss pharmaceutical company Ciba-Geigy AG (now part of Novartis) while searching for a highly active and well-tolerated NSAID. The compound was patented in 1965.First Market Launch (1973): After extensive preclinical and clinical trials, diclofenac sodium was first marketed globally in 1973 under the brand name Voltaren. Its design philosophy is based on clear principles and aims to be an effective cyclooxygenase (COX) inhibitor.

VerwendenDiclofenac sodium is a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor. Oxidation of diclofenac sodium produces the metabolite 4'-hydroxy diclofenac) which demonstrates specific inhibition of Cox-2. Inhibition of Cox by diclofenac and 4'-hydroxy diclofenac suppresses prostaglandin E2 synthesis, producing anti-inflammatory and analgesic effects. Diclofenac is also shown to stabilize the native tetrameric conformation of transthyretin (TTR) fibrils, preventing the formation of insoluble amyloidogenic TTR deposits. Diclofenac Sodium is a substrate of CYP2C9. It is also used as an inhibitor of Cox-1 and Cox-2.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

EthanolChloracetylchlorid2,6-Dichlorphenol2-ChlorbenzoesäureAnilin2,5-DichloranilinChlortoluol (o)2,6-DichloranilinNatriumhydroxidAluminiumchlorid

Nachgelagerte Produkte

1-(2,6-Dichlorphenyl)-1,3-dihydro-2H-indol-2-onDiclofenac methyl ester2,3-Dihydroindol-2-on

Anbieter100 Anbieter

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江苏荣硕药业有限公司0000-15105138935 15105138935 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
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上海相辉医药科技有限公司13761987713 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Diclofenac sodium is the sodium salt of diclofenac. It contains a diclofenac(1-).

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