2D structurePubChem CID 12309123
Ταυτότητα
Daunomycinon
Δεν αναφέρεται · C21H18O8
01Ταυτότητα
| Lazychem ID | LC-45419 |
|---|---|
| CAS RN | Δεν αναφέρεται |
| PubChem CID | 12309123 |
| Molecular formula | C21H18O8 |
| Molecular weight | 398.4 g/mol |
| IUPAC name | (7R,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| InChIKey | YOFDHOWPGULAQF-FIKIJFGZSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 12309123
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(=O)[C@]1(C[C@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O |
|---|---|
| InChI | Δεν αναφέρεται |
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
2 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 83843
Epirubicin EP Impurity B /Daunorubicin EP Impurity A/ Daunomycinone
CAS 21794-55-8
YOFDHOWPGULAQF-MQJDWESPSA-N
2 defined, 0 unassigned centres
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.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
06Πηγές
- S01PubChem CID 12309123
Structure and machine-readable chemical identifiers.