halothane

Ligand id: 2401

Name: halothane

Structure and Physico-chemical Properties

2D Structure
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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))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
International Nonproprietary Names
INN number INN
697 halothane
Synonyms
Fluothane®
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.
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
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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