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: CC1=CC(=CC=C1)C#CC2(CCCC3C2CCN3C(=O)OC)OIsomeric SMILES
SMILES: CC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)OSynonyms(20)
Mavoglurant543906-09-8AFQ056AFQ-056GT0I9SV4F6methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylateDTXSID302027771H-Indole-1-carboxylic acid, octahydro-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-, methyl ester, (3aR,4S,7aR)-mavoglurantummethyl (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 racemate1636881-61-2
Data from PubChem (NCBI)
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