Basic information
- CAS
74711-43-6- Standard SMILES
CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2- InChIKey
MUXFZBHBYYYLTH-UHFFFAOYSA-N- Molecular formula
- C17H14O3S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.06636548
Overview
Zaltoprofen is an organic molecular entity.
Names & identifiers
- Preferred name
- Zaltoprofen
- IUPAC
- 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
- English name
- 10,11-Dihydro-alpha-methyl-10-oxo-dibenzo[b,f]thiepin-2-acetic acid
- Molecular formula
- C17H14O3S
- Molecular weight
- 298.36
Names & synonyms
zaltoprofen74711-43-6PeonCN-100ZaltoprofeneZaltoprofenoSoretonZaltoprofenumDTXSID0049076H8635NG3PYDTXCID0029002RefChem:904794
Show more names
ZatobuprofenZaltoprofen, >=99%SalafapinonEinecs 277-973-5Zaltoprofen (CN100)Zaltoprofen (unspecified)Zaltoprofen, 10 mM in DMSOCN100
(2RS)-2-(10-Oxo-10,11-dihydrodibenzo(b,f)thiepin-2-yl)propanoic acid2-(10-oxo-2-thiatricyclo(9.4.0.03,?)pentadeca-1(11),3,5,7,12,14-hexaen-6-yl)propanoic acid277-973-52-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid89482-00-8SoletonZaltoprofen [INN]CN 100
Database identifiers
- CAS
74711-43-6- PubChem CID
- 5720
- DTXSID
DTXSID0049076- ChEMBL
CHEMBL1765291- ChEBI
CHEBI:32306- UNII
- H8635NG3PY
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Melting point
- 129 · 129-1310C
- Boiling point
- 500.5 · 500.5±50.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.21 · 4.21±0.10(Predicted)
- color
- Off-White to Pale Yellow
- Merck
- 14 · 14,10112
- InChI
- InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
- InChIKey
- MUXFZBHBYYYLTH-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C2SC3=CC=CC=C3C(CC2=C1)=O)(C)C(=O)O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8635 NG3PY · H8635NG3PY
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Zaltoprofen
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Safety data
- rtecs
- HQ2526700
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesZaltoprofen has known human metabolites that include Zaltoprofen S-oxide, (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoyloxy]oxane-2-carboxylic acid, and 10-hydroxy-zaltoprofen.
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents that increase uric acid excretion by the kidney (URICOSURIC AGENTS), decrease uric acid production (antihyperuricemics), or alleviate the pain and inflammation of acute attacks of gout.
Applications
UsesZaltoprofen is a non-steroidal anti-inflammatory drug. It inhibits bradykinin-induced pain responses without blocking bradykinin receptors.
UsesAnti-inflammatory activity resides in (S)-enantiomer.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Related reactions
7 records
Compound notes
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