xylazine   

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).
2D Structure
Click here for structure editor
Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key BPICBUSOMSTKRF-UHFFFAOYSA-N
Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel