405

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

Created:2014-12-22
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count38
Aromatic Bond Count12
2D diagram of 405

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Chemical Component Summary

Name(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Synonyms(S)-Norfluoxetine
Systematic Name (OpenEye OEToolkits)(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
FormulaC16 H16 F3 N O
Molecular Weight295.3
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
SMILESCACTVS3.385NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F
Canonical SMILESCACTVS3.385 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
InChIInChI1.03 InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChIKeyInChI1.03 WIQRCHMSJFFONW-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB06731 
NameSeproxetine
Groups investigational
DescriptionSeproxetine 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.
Synonyms
  • Seproxetine hydrochloride
  • Seproxetine
  • (S)-norfluoxetine
Categories
  • Antidepressive Agents
  • Central Nervous System Depressants
  • Cytochrome P-450 CYP2C19 Inhibitors
  • Cytochrome P-450 CYP2C19 inhibitors (strength unknown)
  • Cytochrome P-450 CYP2C9 Inhibitors
CAS number126924-38-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Sodium-dependent noradrenaline transporterMLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRD...unknowninhibitor
Sodium-dependent serotonin transporterMETTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAV...unknowninhibitor
Sodium-dependent dopamine transporterMSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNP...unknowninhibitor
Cytochrome P450 2C9MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...unknowninhibitor
Cytochrome P450 2C19MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...unknowninhibitor
View More
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

Related Resource References

Resource NameReference
Pharos CHEMBL465123
PubChem 3058751
ChEMBL CHEMBL465123