2D structurePubChem CID 47472
Ταυτότητα
Butoconazole
CAS 64872-76-0 · C19H17Cl3N2S
01Ταυτότητα
| Lazychem ID | LC-100730 |
|---|---|
| CAS RN | 64872-76-0 |
| PubChem CID | 47472 |
| Molecular formula | C19H17Cl3N2S |
| Molecular weight | 411.8 g/mol |
| IUPAC name | 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole |
| InChIKey | SWLMUYACZKCSHZ-UHFFFAOYSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 47472
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl |
|---|---|
| InChI | Δεν αναφέρεται |
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.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
- Butoconazole
- 64872-76-0
- Butoconazol
- Butoconazolum
- Gynofort
- RS 35887-10-3
- NSC-758658
- 0Q771797PH
- 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole
- CHEBI:3240
- 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-
- (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole
06Πηγές
- S01PubChem CID 47472
Structure and machine-readable chemical identifiers.