2D structurePubChem CID 46209133
Identitāte
Omarigliptin
Nav norādīts · C17H20F2N4O3S
01Identitāte
| Lazychem ID | LC-60201 |
|---|---|
| CAS RN | Nav norādīts |
| PubChem CID | 46209133 |
| Molecular formula | C17H20F2N4O3S |
| Molecular weight | 398.4 g/mol |
| IUPAC name | (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine |
| InChIKey | MKMPWKUAHLTIBJ-ISTRZQFTSA-N |
02Struktūra un stereoķīmija
2D structurePubChem CID 46209133
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](OC3)C4=C(C=CC(=C4)F)F)N |
|---|---|
| InChI | Nav norādīts |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 91663885
![Two-dimensional chemical structure of (2S,3R,5S)-2-(2,5-Difluorophenyl)-5-(2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine](/structures/pubchem/91663885-300.png)
(2S,3R,5S)-2-(2,5-Difluorophenyl)-5-(2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
CAS not listed
MKMPWKUAHLTIBJ-MJEQTWJJSA-N
3 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statuss Indijā
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nosaukumi un saistības
API un pamatviela
Nav norādīts
Nosaukumi un saistības
06Avoti
- S01PubChem CID 46209133
Structure and machine-readable chemical identifiers.