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Fluoxetine

PubChem CID: 3386

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Compound Synonyms fluoxetine, 54910-89-3, Prozac, Fluoxetina, Pulvules, Eufor, Animex-On, Fluoxetin, Fluval, Portal, N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, Fluoxetinum, Fluoxetina [Spanish], Fluoxetinum [INN-Latin], Fluoxetina [INN-Spanish], Fluoxetin ratiopharm, Fluoxetine-d5, Methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine, UNII-01K63SUP8D, N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine, NSC-283480, dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine, 01K63SUP8D, DTXSID7023067, (+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine, (+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine, CHEMBL41, 57226-07-0, NSC-758685, CHEBI:5118, DTXCID903067, CHEBI:86990, (+) or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine, NSC 283480, NSC 758685, (+/-)-Fluoxetine, NCGC00015428-08, n-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine, Fluoxetinum (INN-Latin), Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine, Fluoxetina (INN-Spanish), N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine, Fluoxetine [USAN:INN:BAN], N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine, BENZENEPROPANAMINE, N-METHYL-G-(4-(TRIFLUOROMETHYL)PHENOXY)-, (+/-)-, FLUOXETINE (EMA EPAR VETERINARY), Fluoxetine (TN), FLUOXETINE [EMA EPAR VETERINARY], CAS-54910-89-3, Fluoxetine (USAN/INN), fluoexetine, N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine, Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-, MFCD00072041, Spectrum_001679, FLUOXETINE [MI], SpecPlus_000723, FLUOXETINE [INN], Prestwick0_000511, Prestwick1_000511, Prestwick2_000511, Prestwick3_000511, Spectrum2_001658, Spectrum3_001648, Spectrum4_000613, Spectrum5_001518, FLUOXETINE [USAN], Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-, FLUOXETINE [VANDF], Biomol-NT_000152, Epitope ID:224550, (+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine, SCHEMBL8353, LY-110140 free base, FLUOXETINE [WHO-DD], Lopac0_000558, BSPBio_000461, BSPBio_003375, GTPL203, KBioGR_001166, KBioSS_002159, cid_62857, DivK1c_006819, SPBio_001815, SPBio_002382, BPBio1_000354, BPBio1_000509, BDBM30130, KBio1_001763, KBio2_002159, KBio2_004727, KBio2_007295, KBio3_002595, 3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine, N06AB03, PS06 - Fluoxetine/Norfluoxetine, HMS2090H14, (+/-)-N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine, ALBB-025606, BCP28440, HY-B0102, Tox21_110144, (+/-)-N-Methyl-3-p-(p-trifluoromethylphenoxy)-3-phenylpropylamine, (+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine], (+/-)-N-Methyl-gamma-[4-(trifluoromethyl)phenoxy]benzenepropanamine, AB9783, BBL012251, NS-140, NSC283480, STK734483, AKOS003663021, Tox21_110144_1, AC-8478, CCG-204648, DB00472, SDCCGSBI-0050541.P004, (+/-)-N-Methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine, NCGC00015428-06, NCGC00015428-07, NCGC00015428-10, NCGC00015428-11, NCGC00015428-12, NCGC00015428-13, NCGC00015428-15, NCGC00015428-27, NCGC00024879-03, NCGC00024879-04, AS-44989, FF100299, SBI-0050541.P003, DB-015148, AB00053774, NS00000284, D00326, EN300-199668, AB00053774-13, AB00053774-14, AB00053774_15, AB00053774_16, L000931, Q422244, BRD-A31159102-001-01-9, BRD-A31159102-003-05-6, BRD-A31159102-003-16-3, BRD-A31159102-003-28-8, BRD-A31159102-003-29-6, BRD-A31159102-003-30-4, SR-01000002988-18, LY-110140, LY 110140, LY110140, N-methyl 3-(p-trifluoromethylphenoxy)-3-phenylpropylamine, N-Methyl-3-phenyl-3-(p-trifluoromethylphenoxy)propylamine, Benzenepropanamine, N-methyl-?-[4-(trifluoromethyl)phenoxy]-, N-methyl-gamma-(4-(trifluoromethyl)-phenoxy)-benzenepropanamine, benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, DL-N-METHYL-3-(P-TRIFLUOROMETHYLPHENOXY)-3-PHENYLPROPYLAMINE, N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine #, Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, (+/-)-, methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amine hydrochloride, N-METHYL-.GAMMA.-(4-(TRIFLUOROMETHYL)PHENOXY)BENZENEPROPANAMINE, N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine, (+/-)-N-METHYL-3-PHENYL-3-((alpha,ALPHA.,alpha-TRIFLUORO-P-TOLYL)OXY)PROPYLAMINE, (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl)oxy]propylamine, (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha.,la,.alpha.-trifluoro-p-tolyl)oxy]propylamine, Benzenepropanamine, N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-, (.+/-.)-, (+/-)-N-METHYL-3-PHENYL-3-((.ALPHA.,ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)OXY)PROPYLAMINE
Topological Polar Surface Area 21.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 308.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P31652, P14842, P43140, P61169, P31645, P23975, Q01959, Q9WTR4, P23977, P22909, Q61327, O55192, P08913, P00915, P28565, Q12809, Q99720, Q9Y5N1, P22303, Q63380, P10635, P35367, P46098, P02545, P42858, P51151, P42345, O15118, n.a., P21728, Q96KQ7, P83916, O15296, P10632, Q99700, O89049, P49798, P18089, P11229, P20309, P08912, P28223, P28335, P50406, P25094, P33261, P11712, P08684, P08183, O75496, O94956, Q9NPD5, Q9Y6L6, P25122, Q9NUW8, P08909, P22002, P51589, P05177, P20813, P02770, Q13936, O95069, Q9NPC2, O95342, Q92887, O15438, O15439, Q16678, P21836, P0DTD1, Q5U3Y7, Q9R0C9, P10275, Q16236, Q03181, P19838, P05412
Iupac Name N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Prediction Hob 1.0
Target Id NPT295, NPT222, NPT98, NPT296, NPT228, NPT246, NPT987, NPT204, NPT483, NPT1197, NPT537, NPT940, NPT538, NPT628, NPT223, NPT110, NPT262, NPT264, NPT266, NPT290, NPT292, NPT294, NPT668, NPT213, NPT2691, NPT5559, NPT713, NPT1604
Xlogp 4.0
Molecular Formula C17H18F3NO
Prediction Swissadme 1.0
Inchi Key RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Fcsp3 0.2941176470588235
Logs -4.158
Rotatable Bond Count 6.0
Logd 3.768
Compound Name Fluoxetine
Prediction Hob Swissadme 1.0
Exact Mass 309.134
Formal Charge 0.0
Monoisotopic Mass 309.134
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 309.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.364388563636363
Inchi 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
Smiles CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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