2D structurePubChem CID 5312125
Identiteta
Silodosin
Ni navedeno · C25H32F3N3O4
01Identiteta
| Lazychem ID | LC-49012 |
|---|---|
| CAS RN | Ni navedeno |
| PubChem CID | 5312125 |
| Molecular formula | C25H32F3N3O4 |
| Molecular weight | 495.5 g/mol |
| IUPAC name | 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide |
| InChIKey | PNCPYILNMDWPEY-QGZVFWFLSA-N |
02Struktura in stereokemija
2D structurePubChem CID 5312125
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 | 1 |
| SMILES | C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F |
|---|---|
| InChI | Ni navedeno |
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
3 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 9891967
1-(3-Hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)-2,3-dihydro-1H-indole-7-carboxamide
CAS not listed
PNCPYILNMDWPEY-UHFFFAOYSA-N
0 defined, 1 unassigned centres
2D structurePubChem CID 656628
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.
04Status v Indiji
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Imena in povezave
API in matično zdravilo
Ni navedeno
Imena in povezave
06Viri
- S01PubChem CID 5312125
Structure and machine-readable chemical identifiers.