5-Hydroxydiclofenac

Modify Date: 2025-08-23 12:09:13

5-Hydroxydiclofenac Structure
5-Hydroxydiclofenac structure
Common Name 5-Hydroxydiclofenac
CAS Number 69002-84-2 Molecular Weight 312.148
Density 1.5±0.1 g/cm3 Boiling Point 444.8±45.0 °C at 760 mmHg
Molecular Formula C14H11Cl2NO3 Melting Point N/A
MSDS Chinese USA Flash Point 222.8±28.7 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Names

Name 5-hydroxydiclofenac
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 444.8±45.0 °C at 760 mmHg
Molecular Formula C14H11Cl2NO3
Molecular Weight 312.148
Flash Point 222.8±28.7 °C
Exact Mass 311.011597
PSA 69.56000
LogP 3.91
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.690
InChIKey VNQURRWYKFZKJZ-UHFFFAOYSA-N
SMILES O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG6308000
CHEMICAL NAME :
Acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)-
CAS REGISTRY NUMBER :
69002-84-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H11-Cl2-N-O3
MOLECULAR WEIGHT :
312.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1430 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SJRHAT Scandinavian Journal of Rheumatology. (Almqvist & Wiksell, POB 45150, S-10430 Stockholm, Sweden) V.1- 1972- Volume(issue)/page/year: (Suppl 22),5,1978

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H302-H315-H319-H335-H410
Precautionary Statements P273-P280-P301 + P312 + P330-P337 + P313-P391-P501
RIDADR UN 3077 9 / PGIII

 Synthetic Route

 5-HydroxydiclofenacBioassay

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Name: Dissociation constant (pKa)
Source: ChEMBL
Target: N/A
External Id: CHEMBL633257
Name: Partition coefficient (logD7.4)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635471
Name: Glutathione reactivity of the compound assessed as GSH-adduct formation at 0.5 mg/ml ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5166495
Name: Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membrane hom...
Source: ChEMBL
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha
External Id: CHEMBL5166478
Name: Inhibition of COX (unknown origin)
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL2432168
Name: Inhibition of inflammatory hind paw edema, induced by Mycobacterium butyricum in rats...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL797721
Name: In vitro inhibition of bovine prostaglandin G/H synthase, using bovine seminal vesicl...
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL858257
Name: Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homogenate...
Source: ChEMBL
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha
External Id: CHEMBL5099988
Name: Displacement of [3H]HOCPCA from native CaMK2alpha in rat brain cortical membrane homo...
Source: ChEMBL
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha
External Id: CHEMBL5099989
Name: Displacement of [3H]HOCPCA from recombinant rat CaMK2alpha expressed in HEK293T cells...
Source: ChEMBL
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha
External Id: CHEMBL5099990
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 Synonyms

5-Hydroxydiclofenac
5-OH DCF
{2-[(2,6-Dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid
2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid
5-hydroxydiclophenac
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