Cinaproxen

Base Information

• Chemical Name: Cinaproxen
• CAS No.: 89163-44-0
• Molecular Formula: C19H21 N O5 S
• Molecular Weight: 375.44
• UNII: 1J0E0I69E9
• DSSTox Substance ID: DTXSID80237559
• Nikkaji Number: J22.765J
• Wikidata: Q27252474
• NCI Thesaurus Code: C77340
• ChEMBL ID: CHEMBL2104532
• Mol file: 89163-44-0.mol

Synonyms:Cinaproxen;Cinaproxen [INN];89163-44-0;Cinaproxenum;UNII-1J0E0I69E9;1J0E0I69E9;(2R)-2-acetamido-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]sulfanylpropanoic acid;SCHEMBL2110284;CHEMBL2104532;DTXSID80237559;Q27252474;N-ACETYL-L-CYSTEINE (+)-(S)-6-METHOXY-.ALPHA.-METHYL-2-NAPHTHALENEACETATE (ESTER);N-Acetyl-L-cysteine (+)-(S)-6-methoxy-alpha-methyl-2-naphthaleneacetate (ester);N-Acetyl-L-cysteine (+)-(S)-6-methoxy-alpha-methyl-2-naphthaleneacetate (ester).

Chemical Property of Cinaproxen

Chemical Property:

• Vapor Pressure: 5.1E-17mmHg at 25°C
• Boiling Point: 635.4°C at 760 mmHg
• Flash Point: 338.1°C
• PSA: 118.00000
• Density: 1.284g/cm³
• LogP: 3.19190
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 375.11404394
• Heavy Atom Count: 26
• Complexity: 526

Purity/Quality:

95-99% ^*data from raw suppliers

CINAPROXEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCC(C(=O)O)NC(=O)C
• Isomeric SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SC[C@@H](C(=O)O)NC(=O)C