(S)-fluoxetine hydrochloride (CHEBI:86997)

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CHEBI:86997 - (S)-fluoxetine hydrochloride

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ChEBI ID	CHEBI:86997
ChEBI Name	(S)-fluoxetine hydrochloride
Stars
ASCII Name	(S)-fluoxetine hydrochloride
Definition	A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid.
Last Modified	20 July 2015
Submitter	Gareth Owen
Downloads	Molfile

Formula	C17H18F3NO.HCl
Net Charge	0
Average Mass	345.792
Monoisotopic Mass	345.11073
SMILES	CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
InChI	InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m0./s1
InChIKey	GIYXAJPCNFJEHY-NTISSMGPSA-N

Roles Classification

Biological Role:	serotonin uptake inhibitor A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
Applications:	serotonin uptake inhibitor A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.

ChEBI Ontology

Outgoing Relation(s)
	(S)-fluoxetine hydrochloride (CHEBI:86997) has part (S)-fluoxetine(1+) (CHEBI:86995)
	(S)-fluoxetine hydrochloride (CHEBI:86997) has role antidepressant (CHEBI:35469)
	(S)-fluoxetine hydrochloride (CHEBI:86997) has role serotonin uptake inhibitor (CHEBI:50949)
	(S)-fluoxetine hydrochloride (CHEBI:86997) is a hydrochloride (CHEBI:36807)
	(S)-fluoxetine hydrochloride (CHEBI:86997) is enantiomer of (R)-fluoxetine hydrochloride (CHEBI:86996)
Incoming Relation(s)
	fluoxetine hydrochloride (CHEBI:5119) has part (S)-fluoxetine hydrochloride (CHEBI:86997)
	(R)-fluoxetine hydrochloride (CHEBI:86996) is enantiomer of (S)-fluoxetine hydrochloride (CHEBI:86997)

IUPAC Name
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride

Synonyms	Source
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chloride	IUPAC
(S)-fluoxetine HCl	ChEBI
(+)-fluoxetine hydrochloride	ChEBI
(+)-(S)-fluoxetine hydrochloride	ChemIDplus
(S)-(+)-fluoxetine hydrochloride	ChEBI

Registry Numbers	Sources
CAS:114247-06-2	ChemIDplus