Chemical Compound

Sulukast

CAS Registry Number98116-53-1
Sulukast chemical structure
Primary record

Sulukast

CAS
98116-53-1
PubChem CID
6436123
SMILES
CCCCCCCCC/C=C\C=C\[C@H]([C@H](C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O
Molecular Formula
C25H36N4O3S
Molecular Weight
472.655
Exact Mass
472.2508
InChI
InChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1
InChIKey
YPHOSUPSOWQQCB-AFOLHBCXSA-N
LogP
5.7297
TPSA
111.99

Names and synonyms

  • Sulukast
  • Sulukastum
  • Sulukast [USAN:INN]
  • Sulukastum [INN-Latin]
  • SULUKAST [USAN]
  • Sulukast (USAN/INN)
  • SULUKAST [INN]
  • D0G8UG
  • AC1O5L5A
  • 98116-53-1
  • SCHEMBL37634
  • UNII-M652A5186T
  • LY-170680
  • CHEMBL278570
  • GTPL3327
  • LY170680
  • C25H36N4O3S
  • CHEBI:177556
  • DTXSID801364706
  • M652A5186T
  • C25-H36-N4-O3-S
  • CID6436123
  • LY 170680
  • J356.362F
  • D02850
  • 3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
  • Q27088896
  • 3-(((1R,2E,4Z)-1-((alphaS)-alpha-Hydroxy-m-1H-tetrazol-5-ylbenzyl)-2,4-tetradecadienyl)thio)propionic acid
  • 3-{[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid
  • Propanoic acid, 3-((1-(hydroxy(3-(1H-tetrazol-5-yl)phenyl)methyl)-2,4-tetradecadienyl)thio)-, (R-(R*,S*-(E,Z)))-