Mavoglurant
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Molecular Identity
Mavoglurant
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
PubChem CID: 9926832
2D Structure
Properties
C19H23NO3
Molecular Formula
313.40
Molecular Weight
g/mol
313.1678
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
519
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Mavoglurant543906-09-8AFQ056AFQ-056GT0I9SV4F6DTXSID302027771H-Indole-1-carboxylic acid, octahydro-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-, methyl ester, (3aR,4S,7aR)-methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylatemavoglurantummethyl (3aR,4S,7aR)-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylateRefChem:155994DTXCID60125268methyl (3aR,4S,7aR)-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-octahydro-1H-indole-1-carboxylateMavoglurant racemate(3ar,4s,7ar)-octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1h-indole-1-carboxylic acid methyl ester
Data from PubChem (NCBI)
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