Zaltoprofen

C17H14O3SCAS 74711-43-6298.36 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
74711-43-6
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Zaltoprofen89482-00-8

Similar compounds

5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid83237-49-464 % similar 2-Phenylpropionic acid492-37-545 % similar (+)-2-Phenylpropionic acid7782-24-345 % similar (-)-2-Phenylpropionic acid7782-26-545 % similar Ketoprofen22071-15-444 % similar (+)-Ketoprofen22161-81-544 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-644 % similar Flurbiprofen5104-49-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook