B1Q
(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
Find entries where: B1Q
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (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 |
| Identifiers | (4S)-1-[(2S,3S,5R,11bS)-2-azanyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one |
| Formula | C20 H28 F N3 O3 |
| Molecular Weight | 377.453 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N |
| InChI | InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1 |
| InChIKey | GUYMHFIHHOEFOA-ZCPGHIKRSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 55 |
| Chiral Atom Count | 4 |
| Bond Count | 58 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB12268? |
|---|---|
| Name | Carmegliptin |
| Groups | investigational |
| Description | Carmegliptin has been used in trials studying the treatment of Diabetes Mellitus Type 2. |
| Synonyms | Carmegliptin |
| Categories |
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| CAS number | 813452-18-5 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL591118 |
| PubChem | 11417567 |
| ChEMBL | CHEMBL591118 |
