2D structurePubChem CID 15558638
Identitet
Bioallethrin
CAS 260359-57-7 · C19H26O3
01Identitet
| Lazychem ID | LC-100886 |
|---|---|
| CAS RN | 260359-57-7 |
| PubChem CID | 15558638 |
| Molecular formula | C19H26O3 |
| Molecular weight | 302.4 g/mol |
| IUPAC name | cis-(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
| InChIKey | ZCVAOQKBXKSDMS-AQYZNVCMSA-N |
02Struktur og stereokemi
2D structurePubChem CID 15558638
The parsed structure contains 2 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C |
|---|---|
| InChI | Ikke angivet |
03Stereochemistry
The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
2 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.
2D structurePubChem CID 15558640
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.
04Status i Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Navne og relationer
API og moderlægemiddel
Ikke angivet
Navne og relationer
- Bioallethrin
- trans-Allethrin
- 260359-57-7
- G79DM7O471
- NSC-11782
- CHEBI:143255
- DTXSID00180679
- (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
- RefChem:53352
- CHEBI:39117
- DTXCID001507241
- 249-013-5
06Kilder
- S01PubChem CID 15558638
Structure and machine-readable chemical identifiers.