2D structurePubChem CID 5311053
Identité
Cloprostenol
Non indiqué · C22H29ClO6
01Identité
| Lazychem ID | LC-85332 |
|---|---|
| CAS RN | Non indiqué |
| PubChem CID | 5311053 |
| Molecular formula | C22H29ClO6 |
| Molecular weight | 424.9 g/mol |
| IUPAC name | (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid |
| InChIKey | VJGGHXVGBSZVMZ-QIZQQNKQSA-N |
02Structure et stéréochimie
2D structurePubChem CID 5311053
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O |
|---|---|
| InChI | Non indiqué |
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
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 6852388
(+-)-(5E)-7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-5-heptenoic acid
CAS not listed
VJGGHXVGBSZVMZ-BDFMIYKPSA-N
5 defined, 0 unassigned centres
2D structurePubChem CID 13470393
2D structurePubChem CID 131954635
2D structurePubChem CID 138107179
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 en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
06Sources
- S01PubChem CID 5311053
Structure and machine-readable chemical identifiers.