2D structurePubChem CID 147341
Identité
Ecane
Non indiqué · C20H44N4O4
01Identité
| Lazychem ID | LC-51969 |
|---|---|
| CAS RN | Non indiqué |
| PubChem CID | 147341 |
| Molecular formula | C20H44N4O4 |
| Molecular weight | 404.6 g/mol |
| IUPAC name | 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol |
| InChIKey | JHOCPWZBWNMPDD-UHFFFAOYSA-N |
02Structure et stéréochimie
2D structurePubChem CID 147341
The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 4 |
| SMILES | CC(CN1CCN(CCN(CCN(CC1)CC(C)O)CC(C)O)CC(C)O)O |
|---|---|
| InChI | Non indiqué |
03Stereochemistry
The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact 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.
04Statut en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
06Sources
- S01PubChem CID 147341
Structure and machine-readable chemical identifiers.