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(Q123598920)
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English
mufemilast
chemical compound
Hemay005
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Mufemilast.svg
730 × 435; 36 KB
0 references
mass
466.086843044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂N₂O₇S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3csc(N=C(C)O)c3C2=O)ccc1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(N=C(C)O)c3C2=O)ccc1OC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H22N2O7S2/c1-5-29-16-8-12(6-7-15(16)28-3)14(10-31(4,26)27)22-19(24)13-9-30-18(21-11(2)23)17(13)20(22)25/h6-9,14H,5,10H2,1-4H3,(H,21,23)/t14-/m1/s1
0 references
InChIKey
PRSNGWLHNWGOKD-CQSZACIVSA-N
0 references
CAS Registry Number
1255909-03-5
0 references
PubChem CID
137355584
1 reference
matched by identifier from
InChIKey
InChIKey
PRSNGWLHNWGOKD-CQSZACIVSA-N
DrugBank ID
DB18075
1 reference
matched by identifier from
InChIKey
InChIKey
PRSNGWLHNWGOKD-CQSZACIVSA-N
UNII
4QX9BK9E7P
1 reference
matched by identifier from
InChIKey
InChIKey
PRSNGWLHNWGOKD-CQSZACIVSA-N
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Mufemilast
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