2D structurePubChem CID 442195
Aitheantas
Cephaeline
CAS 483-17-0 · C28H38N2O4
01Aitheantas
| Lazychem ID | LC-100793 |
|---|---|
| CAS RN | 483-17-0 |
| PubChem CID | 442195 |
| Molecular formula | C28H38N2O4 |
| Molecular weight | 466.6 g/mol |
| IUPAC name | (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
| InChIKey | DTGZHCFJNDAHEN-OZEXIGSWSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 442195
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 4 |
|---|---|
| Ring count | 5 |
| Secondary amines | 1 |
| Tertiary amines | 1 |
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC |
|---|---|
| InChI | Gan liostú |
03Stereochemistry
The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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.
04Stádas san India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ainmneacha agus gaolta
API agus máthairdhruga
Gan liostú
Ainmneacha agus gaolta
- Cephaeline
- 483-17-0
- Cephaelin
- (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
- CHEBI:3533
- DTXSID501016520
- QA971541A1
- cephaline
- desmethyl-emetine
- RefChem:124364
- DTXCID401474711
- 207-591-6
06Foinsí
- S01PubChem CID 442195
Structure and machine-readable chemical identifiers.