Rel-Pentazocine
(1R,9R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
| Molecular Formula | C19H27NO |
|---|---|
| Molecular Weight | 285.4 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.20926 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 39188-58-4 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O |
| InChIKey | VOKSWYLNZZRQPF-NIKGAXFTSA-N |
📖 Product Overview
Rel-Pentazocine (CAS: 39188-58-4) is a chemical compound with molecular formula C19H27NO and molecular weight 285.4 g/mol. Its IUPAC systematic name is (1R,9R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
VOKSWYLNZZRQPF-NIKGAXFTSA-N.
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.
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