2D structurePubChem CID 44182295
Identitate
Refametinib
Nu este indicat · C19H20F3IN2O5S
01Identitate
| Lazychem ID | LC-61795 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 44182295 |
| Molecular formula | C19H20F3IN2O5S |
| Molecular weight | 572.3 g/mol |
| IUPAC name | N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide |
| InChIKey | RDSACQWTXKSHJT-NSHDSACASA-N |
02Structură și stereochimie
2D structurePubChem CID 44182295
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 3 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 44182295
Structure and machine-readable chemical identifiers.