Aclimostat
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylate
Molecular Identity
Aclimostat
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylate
PubChem CID: 126573394
2D Structure
Properties
C26H42N2O6
Molecular Formula
478.60
Molecular Weight
g/mol
478.3043
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
76.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Aclimostat2082752-83-6ZGN-1061X150A3JK8R(3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl 3-(2-(morpholin-4-yl)ethyl)azetidine-1-carboxylate(3R,4S,5S,6R)5Methoxy4((2R,3R)2methyl3(3methylbut2en1yl)oxiran2yl)1oxaspiro(2.5)octan6yl 3(2(morpholin4yl)ethyl)azetidine1carboxylate1-Azetidinecarboxylic acid, 3-(2-(4-morpholinyl)ethyl)-, (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)oct-6-yl esteraclimostatumRefChem:109278Aclimostat [INN][(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylateACLIMOSTAT [WHO-DD]UNII-X150A3JK8Rorb1691270CHEMBL4297651
Data from PubChem (NCBI)
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