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52079-10-4

52079-10-4 Structure

52079-10-4 Structure
IdentificationBack Directory
[Name]

O-DESMETHYLNAPROXEN
[CAS]

52079-10-4
[Synonyms]

(S)-6-Demethylnaproxen
Naproxen EP IMpurity A
(S)-O-Desmethyl Naproxen
(S)-6-O-Desmethylnaproxen
(S)-2-(6-Hydroxy-2-naphthyl)propionic Acid
(S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
(s)-6-hydroxy-α-methyl-2-naphthaleneacetic acid
(aS)-6-Hydroxy-α-methyl-2-naphthaleneacetic Acid
(aS)-6-Hydroxy-a-methyl-2-naphthaleneacetic Acid
(S)-6-Hydroxy-α-methyl-2-naphthaleneacetic acid, d-2-(6-Hydroxy-2-naphthyl)proprionic acid
[Molecular Formula]

C13H12O3
[MDL Number]

MFCD00869765
[MOL File]

52079-10-4.mol
[Molecular Weight]

216.235
Chemical PropertiesBack Directory
[Appearance]

Off-Whie to Pale Pink Solid
[Melting point ]

182-183 °C
[Boiling point ]

432.1±20.0 °C(Predicted)
[density ]

1.297±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble
[form ]

neat
[pka]

4.87±0.30(Predicted)
[color ]

white
[BRN ]

8838512
[Major Application]

forensics and toxicology
pharmaceutical (small molecule)
[InChI]

1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
[InChIKey]

XWJUDDGELKXYNO-QMMMGPOBSA-N
[SMILES]

C[C@H](C(O)=O)c1ccc2cc(O)ccc2c1
[CAS DataBase Reference]

52079-10-4
Hazard InformationBack Directory
[Chemical Properties]

Off-Whie to Pale Pink Solid
[Uses]

A metabolite of Naproxen
[Definition]

ChEBI: A member of the class of naphthols that is naproxen in which the 6-methoxy group has been demethylated.
[Biochem/physiol Actions]

CYP2C9 metabolite of naproxen
[storage]

-20°C
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-43-50/53
[Safety Statements ]

36/37-60-61
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Skin Sens. 1
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