Mitiglinide
(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid
Molecular Identity
Mitiglinide
(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid
PubChem CID: 121891
Mitiglinide is a member of benzenes and a monocarboxylic acid.
2D Structure
Properties
C19H25NO3
Molecular Formula
315.40
Molecular Weight
g/mol
315.1834
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
57.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
416
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)OIsomeric SMILES
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)OSynonyms(20)
Mitiglinide145375-43-5mitiglinidaD86I0XLB13DTXSID40483032-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionatemitiglinidummiti-glinideRefChem:159078DTXCID2028278A10BX08(2S)-4-((3aR,7aS)-octahydro-1H-isoindol-2-yl)-2-benzyl-4-oxobutanoic acid2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-Mitiglinide [INN](2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid
Data from PubChem (NCBI)
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Drug Network
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