2D structurePubChem CID 8275
Identita
Talbutal
CAS 115-44-6 · C11H16N2O3
01Identita
| Lazychem ID | LC-101155 |
|---|---|
| CAS RN | 115-44-6 |
| PubChem CID | 8275 |
| Molecular formula | C11H16N2O3 |
| Molecular weight | 224.26 g/mol |
| IUPAC name | 5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione |
| InChIKey | BJVVMKUXKQHWJK-UHFFFAOYSA-N |
02Struktura a stereochemie
2D structurePubChem CID 8275
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 | 0 |
| SMILES | CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
- TALBUTAL
- Lotusate
- Profundol
- 115-44-6
- 5-Allyl-5-sec-butylbarbituric acid
- Talbutale
- Talbutalum
- sec-Butyl allyl barbituric acid
- WIN 5095
- DTXSID8023630
- Barbituric acid, 5-allyl-5-sec-butyl-
- 4YIR8202AX
06Zdroje
- S01PubChem CID 8275
Structure and machine-readable chemical identifiers.