Tanimilast
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate
Molecular Identity
Tanimilast
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate
PubChem CID: 70662473
2D Structure
Properties
C30H30Cl2F2N2O8S
Molecular Formula
687.50
Molecular Weight
g/mol
686.1068
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
134
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
1070
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TanimilastCHF-60011239278-59-1TranimilastCHF6001J3.309.618F0984EU6E2FRefChem:1251643,5-dichloro-4-((2S)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)-4-methanesulfonamidobenzoyloxy)ethyl)pyridin-1-ium-1-olate3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)-4-(methylsulfonamido)benzoyloxy)ethyl)pyridine 1-oxideTranimilast [USAN][(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate(S)-3,5-Dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[[3-(cyclopropylmethoxy)-4-(methylsulfonamido)benzoyl]oxy]ethyl]pyridine1-OxideTANIMILAST [INN]UNII-0984EU6E2F
Data from PubChem (NCBI)
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