Rel-Pentazocine structure

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

CAS: 39188-58-4
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. 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 InChI Key: VOKSWYLNZZRQPF-NIKGAXFTSA-N. SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.

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Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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