Seproxetine

HCID 3058751
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Basic information

CAS
126924-38-7
Standard SMILES
NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIKey
WIQRCHMSJFFONW-HNNXBMFYSA-N
Molecular formula
C16H16F3NO
Average molar mass
295.3 g/mol
Monoisotopic mass
295.11839879

Overview

Seproxetine is also known as (S)-norfluoxetine. It is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed.

Names & identifiers

Preferred name
Seproxetine
IUPAC
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
English name
(S)-Norfluoxetine
Molecular formula
C16H16F3NO
Molecular weight
295.2995496

Names & synonyms

(S)-Norfluoxetine126924-38-7SEPROXETINESeproxetine [INN]Norfluoxetine, (s)-seproxetinaUNII-25CO3X0R3125CO3X0R31SEPROXETINE [WHO-DD]DTXSID001019529NFL_296.1257_14.5BENZENEPROPANAMINE, .GAMMA.-(4-(TRIFLUOROMETHYL)PHENOXY)-, (.GAMMA.S)-
Show more names
(S)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE(3S)-3-Phenyl-3-[4-(Trifluoromethyl)Phenoxy]-1-PropanamineBenzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, (γS)-1-[(1S)-3-Amino-1-phenylpropoxy]-4-(trifluoromethyl)benzene
seproxetinumBenzenepropanamine, gamma-[4-(trifluoromethyl)phenoxy]-, (gammaS)-Benzenepropanamine, .gamma.-[4-(trifluoromethyl)phenoxy]-, (.gamma.S)-BENZENEPROPANAMINE, GAMMA-(4-(TRIFLUOROMETHYL)PHENOXY)-, (GAMMAS)-RefChem:182424DTXCID901477489(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine(S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine

Database identifiers

CAS
126924-38-7
PubChem CID
3058751
DTXSID
DTXSID001019529
ChEMBL
CHEMBL465123
UNII
25CO3X0R31
Nikkaji
J511.686D

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point
381.1 · 381.1±42.0 °C(Predicted)
Density
1.204 · 1.204±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
pka
9.05 · 9.05±0.13(Predicted)

Chemistry & industry

Pharmacology

Mechanism of Action · 1 item

Seproxetine is also known as (S)-norfluoxetine. It is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed.

Biological Half-Life4-16 days
Metabolism/Metabolites(s)-Norfluoxetine is a known human metabolite of (s)-fluoxetine.
Applications · 4 items

UsesA metabolite of Fluoxetine (F597100), a selective serotonin reuptake inhibitor which is used as an antidepressant.

Uses(S)-Norfluoxetine is a labelled Fluoxetine (F597100) derivative,it is a stereoselective inhibitorof serotonin re-uptake and phosphodiesterase. It is used as a potential antidepressants.

UsesA labelled metabolite of Fluoxetine, a selective serotonin reuptake inhibitor which is used as an antidepressant.

UsesA metabolite of Fluoxetine, a selective serotonin reuptake inhibitor which is used as an antidepressant.

Upstream & downstream products

Downstream products

Suppliers10 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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Compound notes

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