2D structurePubChem CID 5282452
Identita
Pitavastatin
Neuvedené · C25H24FNO4
01Identita
| Lazychem ID | LC-85510 |
|---|---|
| CAS RN | Neuvedené |
| PubChem CID | 5282452 |
| Molecular formula | C25H24FNO4 |
| Molecular weight | 421.5 g/mol |
| IUPAC name | (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid |
| InChIKey | VGYFMXBACGZSIL-MCBHFWOFSA-N |
02Štruktúra a stereochémia
2D structurePubChem CID 5282452
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F |
|---|---|
| InChI | Neuvedené |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
5 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 9845091
2D structurePubChem CID 12132652
(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
CAS 254452-86-3
VGYFMXBACGZSIL-JUFISIKESA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 58058115
![Two-dimensional chemical structure of (Z,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid, CAS 1159631-31-8](/structures/pubchem/58058115-300.png)
(Z,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CAS 1159631-31-8
VGYFMXBACGZSIL-DBBWNDPISA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 172915595
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.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vzťahy
API a materské liečivo
Neuvedené
Názvy a vzťahy
06Zdroje
- S01PubChem CID 5282452
Structure and machine-readable chemical identifiers.