2D structurePubChem CID 443831
Identidad
Carminomycin
CAS 50935-04-1 · C26H27NO10
01Identidad
| Lazychem ID | LC-100763 |
|---|---|
| CAS RN | 50935-04-1 |
| PubChem CID | 443831 |
| Molecular formula | C26H27NO10 |
| Molecular weight | 513.5 g/mol |
| IUPAC name | (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| InChIKey | XREUEWVEMYWFFA-CSKJXFQVSA-N |
02Estructura y estereoquímica
2D structurePubChem CID 443831
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 6 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O |
|---|---|
| InChI | No indicado |
03Stereochemistry
The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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
- Carminomycin
- Carubicin
- Carminomicin I
- Carminomycin I
- Carubicina
- Carubicine
- KARMINOMYCIN
- Carubicin [INN]
- Carubicinum
- Karminomitsin
- DTXSID3022742
- Carubicine [INN-French]
06Fuentes
- S01PubChem CID 443831
Structure and machine-readable chemical identifiers.