Carmegliptin
(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
Molecular Identity
Carmegliptin
(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID: 11417567
2D Structure
Properties
C20H28FN3O3
Molecular Formula
377.50
Molecular Weight
g/mol
377.2115
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
68
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
551
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C2C3CC(C(CN3CCC2=C1)N4CC(CC4=O)CF)N)OCIsomeric SMILES
SMILES: COC1=C(C=C2[C@@H]3C[C@@H]([C@H](CN3CCC2=C1)N4C[C@H](CC4=O)CF)N)OCSynonyms(20)
Carmegliptin813452-18-59Z723VGH7JRO4876904R1579CarmegliptinaCarmegliptineR-1579Ro-4876904(4S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido(2,1-a)isoquinolin-3-yl)-4-(fluoromethyl)pyrrolidin-2-one(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-onecarmegliptinumRefChem:574679(4S)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido(2,1-a)isoquinolin-3-yl)-4-(fluoromethyl)pyrrolidin-2-oneCamegliptin
Data from PubChem (NCBI)
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Drug Network
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