CFTR(inh)-172

CAS Registry Number®

307510-92-5
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CAS Name

CFTR(inh)-172

Molecular Formula

C18H10F3NO3S2

Molecular Mass

409.40

Cite this Page

CFTR(inh)-172.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=307510-92-5 (retrieved 2024-04-26) (CAS RN: 307510-92-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181-183 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)

InChIKey

InChIKey=JIMHYXZZCWVCMI-UHFFFAOYSA-N

SMILES

O=C1N(C(=S)SC1=CC2=CC=C(C(O)=O)C=C2)C3=CC(C(F)(F)F)=CC=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1)C=C2SC(=S)N(C2=O)C3=CC=CC(=C3)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 4-[[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]-
  • 4-[[4-Oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid
  • 3-[(3-Trifluoromethyl)phenyl]-5-[(4-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone
  • Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172
  • CFTR(inh)-172

Deleted or Replaced CAS Registry Numbers

535962-74-4

CAS INSIGHTSTM
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