2D structurePubChem CID 2787
Identidad
Clinofibrate
CAS 30299-08-2 · C28H36O6
01Identidad
| Lazychem ID | LC-100847 |
|---|---|
| CAS RN | 30299-08-2 |
| PubChem CID | 2787 |
| Molecular formula | C28H36O6 |
| Molecular weight | 468.6 g/mol |
| IUPAC name | 2-[4-[1-[4-(2-carboxybutan-2-yloxy)phenyl]cyclohexyl]phenoxy]-2-methylbutanoic acid |
| InChIKey | BMOVQUBVGICXQN-UHFFFAOYSA-N |
02Estructura y estereoquímica
2D structurePubChem CID 2787
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O |
|---|---|
| InChI | No indicado |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.
04Estado en India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nombres y relaciones
API y fármaco de origen
No indicado
Nombres y relaciones
- clinofibrate
- 30299-08-2
- Lipoclin
- Clinofibrato
- Clinofibratum
- DTXSID6046638
- 0374EZJ8CU
- DTXCID4026638
- 2-(4-{1-[4-(1-carboxy-1-methylpropoxy)phenyl]cyclohexyl}phenoxy)-2-methylbutanoic acid
- 2,2'-(4,4'-Cyclohexylidenediphenoxy)-2,2'-dimethyldibutanoic Acid
- 1,1-bis(4'-(1''-carboxy-1''-methylpropoxy)phenyl)cyclohexane
- RefChem:577719
06Fuentes
- S01PubChem CID 2787
Structure and machine-readable chemical identifiers.