2D structurePubChem CID 73671
Tapatybė
Paclobutrazol
CAS 76738-62-0 · C15H20ClN3O
01Tapatybė
| Lazychem ID | LC-101211 |
|---|---|
| CAS RN | 76738-62-0 |
| PubChem CID | 73671 |
| Molecular formula | C15H20ClN3O |
| Molecular weight | 293.79 g/mol |
| IUPAC name | (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol |
| InChIKey | RMOGWMIKYWRTKW-UONOGXRCSA-N |
02Struktūra ir stereochemija
2D structurePubChem CID 73671
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(C)(C)[C@@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O |
|---|---|
| InChI | Nenurodyta |
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
3 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 616765
1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-
CAS not listed
RMOGWMIKYWRTKW-UHFFFAOYSA-N
0 defined, 2 unassigned centres
2D structurePubChem CID 6455310
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.
04Statusas Indijoje
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Pavadinimai ir ryšiai
API ir pirminis vaistas
Nenurodyta
Pavadinimai ir ryšiai
- Paclobutrazol
- Bonzi
- 76738-62-0
- Friazole
- Clipper 50WP
- Trimmit
- Cultar
- Parlay
- 6PLV42R3ZA
- (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
- DTXSID2024242
- 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
06Šaltiniai
- S01PubChem CID 73671
Structure and machine-readable chemical identifiers.