SFX

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

Created:	2009-04-03
Last modified:	2020-06-05

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	12

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Chemical Component Summary
Name	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Synonyms	Fluoxetine
Systematic Name (OpenEye OEToolkits)	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula	C₁₇ H₁₈ F₃ N O
Molecular Weight	309.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2
SMILES	CACTVS	3.341	CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F
Canonical SMILES	CACTVS	3.341	CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C17H18F3NO/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/t16-/m0/s1
InChIKey	InChI	1.03	RTHCYVBBDHJXIQ-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB08544
Name	(S)-Fluoxetine
Groups	experimental
Description	An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine).
Synonyms	(S)-(−)-fluoxetine (S)-N-methyl-γ-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine (S)-Fluoxetine (S)-Prozac (S)-N-methyl-3-phenyl-3-[(α,α,α-trifluoro-p-tolyl)oxy]propylamine (−)-fluoxetine
CAS number	100568-02-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transporter	MEVKREHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIA...	unknown

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