chempirical

Zaltoprofen

C17H14O3SCAS 89482-00-8298.36 g/mol

Open in Covalent MOL file
OHOOS
Carboxylic acidKetoneSulfide

Properties

Molecular formula
C17H14O3S
Molar mass
298.36 g/mol
Exact mass
298.0664 Da
Melting point
130–133 °C
logP
3.76Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
89482-00-8
SMILES
CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2
InChIKey
MUXFZBHBYYYLTH-UHFFFAOYSA-N
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)

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Names and synonyms

7 names
  • Dibenzo[b,f]thiepin-2-acetic acid, 10,11-dihydro-α-methyl-10-oxo-
  • 10,11-Dihydro-α-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid
  • CN 100
  • CN 100 (antiphlogistic)
  • Soleton
  • 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic acid
  • 2-(10-Oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid

Work with Zaltoprofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ketoprofen22071-15-444 % similar (+)-Ketoprofen22161-81-544 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-644 % similar Flurbiprofen5104-49-442 % similar (-)-Flurbiprofen51543-40-942 % similar Fenoprofen31879-05-742 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-541 % similar Ibuprofen15687-27-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Zaltoprofen74711-43-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook