2D structurePubChem CID 5458190
Tapatybė
Catharanthine
CAS 2468-21-5 · C21H24N2O2
01Tapatybė
| Lazychem ID | LC-31552 |
|---|---|
| CAS RN | 2468-21-5 |
| PubChem CID | 5458190 |
| Molecular formula | C21H24N2O2 |
| Molecular weight | 336.4 g/mol |
| IUPAC name | Methyl (1R, 15R, 18R)-17-ethyl-3, 13-diazapentacyclo[13.3.1.02, 10.04, 9.013, 18]nonadeca-2(10), 4, 6, 8, 16-pentaene-1-carboxylate |
| InChIKey | CMKFQVZJOWHHDV-NQZBTDCJSA-N |
02Struktūra ir stereochemija
2D structurePubChem CID 5458190
The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 6 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
|---|---|
| InChI | Nenurodyta |
03Stereochemistry
The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.
04Statusas Indijoje
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Pavadinimai ir ryšiai
API ir pirminis vaistas
Nenurodyta
Pavadinimai ir ryšiai
- (+)-3, 4-Didehydrocoronaridine
- (6R, 6aR, 9R, 11R)-Methyl7-ethyl-6, 6a, 9, 10, 12, 13-hexahydro-5H-6, 9-methanopyrido[1', 2':1, 2]azepino[4, 5-b]indole-6-carboxylate
- Methyl (2-alpha, 5-beta, 6-alpha, 18-beta)-3, 4-didehydroibogamine-18-carboxylate
06Šaltiniai
- S01PubChem CID 5458190
Structure and machine-readable chemical identifiers.