halothane

Ligand id: 2401

Name: halothane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 0
Molecular weight 195.89
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1958))
IUPAC Name
2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
International Nonproprietary Names
INN number INN
697 halothane
Synonyms
Fluothane®
Database Links
BindingDB Ligand 50112212
CAS Registry No. 151-67-7
ChEBI CHEBI:5615
ChEMBL Ligand CHEMBL931
DrugBank Ligand DB01159
GtoPdb PubChem SID 135650346
PubChem CID 3562
Search Google for chemical match using the InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BCQZXOMGPXTTIC
Search PubMed clinical trials halothane
Search PubMed titles halothane
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Search UniChem for chemical match using the InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BCQZXOMGPXTTIC
Wikipedia Halothane
Comments
Halothane is a volatile anaesthetic which causes rapid anaesthesia, but requires use of additional nitrous oxide and/or neuromuscular blocking agents to be fully effective.