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
SMILES / InChI / InChIKey
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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)
InChI Key BPICBUSOMSTKRF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
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
BindingDB Ligand 50027069
CAS Registry No. 7361-61-7 (source: Scifinder)
ChEMBL Ligand CHEMBL297362
GtoPdb PubChem SID 135651335
PubChem CID 5707
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Search PubMed clinical trials xylazine
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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