2D structurePubChem CID 29941945
Aitheantas
Barnidipine Impurity 3
Gan liostú · C27H29N3O6
01Aitheantas
| Lazychem ID | LC-41526 |
|---|---|
| CAS RN | Gan liostú |
| PubChem CID | 29941945 |
| Molecular formula | C27H29N3O6 |
| Molecular weight | 491.5 g/mol |
| IUPAC name | 5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChIKey | VXMOONUMYLCFJD-WIOPSUGQSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 29941945
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 4 |
| Secondary amines | 1 |
| Tertiary amines | 1 |
| SMILES | CC1=C([C@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
|---|---|
| InChI | Gan liostú |
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
4 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.
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
06Foinsí
- S01PubChem CID 29941945
Structure and machine-readable chemical identifiers.