2D structurePubChem CID 5281075
Идентичност
Carboprost
Не е посочено · C21H36O5
01Идентичност
| Lazychem ID | LC-85707 |
|---|---|
| CAS RN | Не е посочено |
| PubChem CID | 5281075 |
| Molecular formula | C21H36O5 |
| Molecular weight | 368.5 g/mol |
| IUPAC name | (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
| InChIKey | DLJKPYFALUEJCK-IIELGFQLSA-N |
02Структура и стереохимия
2D structurePubChem CID 5281075
The parsed structure contains 1 ring, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O |
|---|---|
| InChI | Не е посочено |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.
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.
04Статус в Индия
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Имена и връзки
API и изходно лекарство
Не е посочено
Имена и връзки
06Източници
- S01PubChem CID 5281075
Structure and machine-readable chemical identifiers.