HLT

2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE

Created:	2000-08-29
Last modified:	2011-06-04

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6 entries where HLT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	1
Bond Count	7
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
Systematic Name (OpenEye OEToolkits)	(2R)-2-bromo-2-chloro-1,1,1-trifluoro-ethane
Formula	C₂ H Br Cl F₃
Molecular Weight	197.382
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	BrC(Cl)C(F)(F)F
SMILES	CACTVS	3.341	FC(F)(F)[CH](Cl)Br
SMILES	OpenEye OEToolkits	1.5.0	C(C(F)(F)F)(Cl)Br
Canonical SMILES	CACTVS	3.341	FC(F)(F)[C@H](Cl)Br
Canonical SMILES	OpenEye OEToolkits	1.5.0	[C@@H](C(F)(F)F)(Cl)Br
InChI	InChI	1.03	InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1
InChIKey	InChI	1.03	BCQZXOMGPXTTIC-SFOWXEAESA-N

Drug Info: DrugBank

DrugBank ID	DB01159
Name	Halothane
Groups	vet_approved approved
Description	A nonflammable, halogenated, hydrocarbon anesthetic that provides relatively rapid induction with little or no excitement. Analgesia may not be adequate. nitrous oxide is often given concomitantly. Because halothane may not produce sufficient muscle relaxation, supplemental neuromuscular blocking agents may be required. (From AMA Drug Evaluations Annual, 1994, p178)
Synonyms	2-bromo-2-chloro-1,1,1-trifluoroethane Halothane Halotano 1,1,1-trifluoro-2-chloro-2-bromoethane Bromochlorotrifluoroethane 1,1,1-trifluoro-2-bromo-2-chloroethane Alotano 1-bromo-1-chloro-2,2,2-trifluoroethane Halothanum 2,2,2-trifluoro-1-chloro-1-bromoethane
Brand Names	Halothane Fluothane Anesthetic Halothane Liq 99.9% Fluothane Liq Inh 1000mg/gm
Indication	For the induction and maintenance of general anesthesia
Categories	Agents that produce hypertension Anesthetics Anesthetics, General Anesthetics, Inhalation Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Hydrocarbons, Halogenated Hypotensive Agents Nervous System NMDA Receptor Antagonists
ATC-Code	N01AB01
CAS number	151-67-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Potassium channel subfamily K member 3	MKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRA...	unknown	binder
Potassium channel subfamily K member 9	MKRQNVRTLSLIVCTFTYLLVGAAVFDALESDHEMREEEKLKAEEIRIKG...	unknown	binder
GABA(A) Receptor	MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...	unknown	positive allosteric modulator
Plasma membrane calcium-transporting ATPase	MGDMANNSVAYSGVKNSLKEANHDGDFGITLAELRALMELRSTDALRKIQ...	unknown	inhibitor
Calcium-activated potassium channel subunit alpha-1	MANGGGGGGGSSGGGGGGGGSSLRMSSNIHANHLSLDASSSSSSSSSSSS...	unknown	inhibitor
Glutamate receptor ionotropic, NMDA 3A	MRRLSLWWLLSRVCLLLPPPCALVLAGVPSSSSHPQPCQILKRIGHAVRV...	unknown	antagonist
Glutamate receptor ionotropic, NMDA 3B	MEFVRALWLGLALALGPGSAGGHPQPCGVLARLGGSVRLGALLPRAPLAR...	unknown	antagonist
Glutamate receptor ionotropic, NMDA 2A	MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERE...	unknown	antagonist
Glycine receptor subunit alpha-1	MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTS...	unknown	allosteric modulator
Rhodopsin	MNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVL...	unknown	other
G protein-activated inward rectifier potassium channel 2	MAKLTESMTNVLEGDSMDQDVESPVAIHQPKLPKQARDDLPRHISRDRTK...	unknown	inhibitor
G protein-activated inward rectifier potassium channel 1	MSALRRKFGDDYQVVTTSSSGSGLQPQGPGQDPQQQLVPKKKRQRFVDKN...	unknown	inhibitor
NADH-ubiquinone oxidoreductase chain 1	MPMANLLLLIVPILIAMAFLMLTERKILGYMQLRKGPNVVGPYGLLQPFA...	unknown	inhibitor
Intermediate conductance calcium-activated potassium channel protein 4	MGGDLVLGLGALRRRKRLLEQEKSLAGWALVLAGTGIGLMVLHAEMLWFG...	unknown	inhibitor
Gamma-aminobutyric acid receptor subunit alpha-1	MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...	unknown	other/unknown
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPL...	unknown	other/unknown
Neuropeptide S receptor	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKT...	unknown	other/unknown
Cytochrome P450 2E1	MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Cytochrome P450 2A6	MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...	unknown	substrate
Cytochrome P450 2B6	MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRG...	unknown	substrate
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682