halothane   Click here for help

GtoPdb Ligand ID: 2401

Synonyms: Fluothane®
Approved drug
halothane is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES ClC(C(F)(F)F)Br
Isomeric SMILES ClC(C(F)(F)F)Br
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChI Key BCQZXOMGPXTTIC-UHFFFAOYSA-N
Classification Click here for help
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 Click here for help
2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
International Nonproprietary Names Click here for help
INN number INN
697 halothane
Synonyms Click here for help
Fluothane®
Database Links Click here for help
BindingDB Ligand 50112212
CAS Registry No. 151-67-7
ChEBI CHEBI:5615
ChEMBL Ligand CHEMBL931
DrugBank Ligand DB01159
DrugCentral Ligand 1356
GtoPdb PubChem SID 135650346
PubChem CID 3562
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Wikipedia Halothane