Basic information
- CAS
60756-73-2- Standard SMILES
CC(C(=O)O)c1ccc2cc(O)ccc2c1- InChIKey
XWJUDDGELKXYNO-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- Desmethylnaproxen
- IUPAC
- 2-(6-hydroxynaphthalen-2-yl)propanoic acid
- English name
- desmethylnaproxen
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
Desmethylnaproxen60756-73-26-DesmethylnaproxenDTXSID801016131CHEBI:133474RefChem:919941DTXCID208889282-(6-hydroxynaphthalen-2-yl)propanoic acid2-(6-hydroxy-2-naphthyl)propanoic acid(S)-6-Desmethyl NaproxenXWJUDDGELKXYNO-UHFFFAOYSA-NSCHEMBL554068
Show more names
Naproxen Desmethyl2-Naphthaleneacetic acid, 6-hydroxy-α-methyl-2-(6-hydroxynaphthalen-2-yl)propanoic acid (technical grade)
SCHEMBL8994557SCHEMBL29993492KCA75673AKOS023801034DB-103478DB-2600642-(6-Hydroxynaphthalen-2-yl)propionic acid6-hydroxy-2-naphthyl-alpha-methylacetic acid
Database identifiers
- CAS
60756-73-2- PubChem CID
- 162920
- DTXSID
DTXSID801016131- Nikkaji
- J651.570C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 179 · 179-181 °C(Solv: toluene (108-88-3))
- Boiling point
- 432.1 · 432.1±20.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsKidney；Liver
Cellular LocationsExtracellular
Metabolite PathwaysNaproxen Action Pathway
Suppliers8 total
盐城通铭生物科技有限公司15195160625 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021
Alfa Chemistry+1-5166625404 · [email protected]
上海腾彤化工科技有限公司17602173738 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
60 records
Compound notes
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