xylazine   Click here for help

GtoPdb Ligand ID: 523

Synonyms: BAY-VA-1470 | Bayer 1470
Compound class: Synthetic organic
Comment: Xylazine is used by vets as a large animal sedative, often in combination with ketamine. It has sedative, anesthetic, muscle relaxant, and analgesic effects. The marketed formulation contains xylazine hydrochloride (PubChem CID 68554).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 49.69
Molecular weight 220.1
XLogP 2.8
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1cccc(c1NC1=NCCCS1)C
Isomeric SMILES Cc1cccc(c1NC1=NCCCS1)C
InChI InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel