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).
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2663 xylazine
Synonyms Click here for help
BAY-VA-1470 | Bayer 1470
Database Links Click here for help
Specialist databases
GPCRdb Ligand xylazine
Other databases
BindingDB Ligand 50027069
CAS Registry No. 7361-61-7 (source: Scifinder)
ChEMBL Ligand CHEMBL297362
GtoPdb PubChem SID 135651335
PubChem CID 5707
Search Google for chemical match using the InChIKey BPICBUSOMSTKRF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPICBUSOMSTKRF
Search PubMed clinical trials xylazine
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Search PubMed titles/abstracts xylazine
UniChem Compound Search for chemical match using the InChIKey BPICBUSOMSTKRF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BPICBUSOMSTKRF-UHFFFAOYSA-N
Wikipedia Xylazine