Chemical Compound

Tanimilast

CAS Registry Number1239278-59-1
Tanimilast chemical structure
Primary record

Tanimilast

CAS
1239278-59-1
PubChem CID
70662473
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O[C@@H](CC2=C(C=[N+](C=C2Cl)[O-])Cl)C3=CC(=C(C=C3)OC(F)F)OCC4CC4)OCC5CC5
Molecular Formula
C30H30Cl2F2N2O8S
Molecular Weight
687.545
Exact Mass
686.1068
InChI
InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
InChIKey
VCFBPAOSTLMYIV-SANMLTNESA-N
LogP
6.3181
TPSA
127.1

Names and synonyms

  • Tanimilast
  • Tranimilast
  • CHF-6001
  • Tranimilast [USAN]
  • CHF6001
  • TANIMILAST [INN]
  • RefChem:125164
  • VCFBPAOSTLMYIV-SANMLTNESA-N
  • 0984EU6E2F
  • 1239278-59-1
  • UNII-0984EU6E2F
  • J3.309.618F
  • CHEMBL3113974
  • SCHEMBL12096092
  • SCHEMBL31055762
  • SCHEMBL31158262
  • YQF1427
  • TANIMILAST (CHF-6001)
  • GLXC-10137
  • BDBM50495704
  • WHO 11075
  • AT45539
  • DB12800
  • DA-67921
  • HY-19929
  • CS-0016928
  • NS00073468
  • A857341
  • [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate
  • Q27236468