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Home> Encyclopedia >   /  Pharmaceuticals and Biochemicals  /  Custom Manufacturing  /  Other Chemicals  /  Agrochemical Intermediates  /  Pharmaceutical Intermediates
56296-78-7 structure

fluoxetine hydrochloride

Iupac Name:N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CAS No.:56296-78-7
EINECS(EC#): 611-817-2; 260-101-2
Molecular Weight:345.79
Molecular Formula:C17H19ClF3NO (isomer)
1. Names and Identifiers
1.1 Synonyms

(+-)-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine hydrochloride (+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine, hydrochloride (+-)-N-Methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propylamine hydrochloride (+/-)-N-Methyl-&gamma (+/-)-N-Methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine, HCl (+/-)-N-Methyl-gamma-[4-(trifluoromethyl)phenoxy]benzenepropanamine hydrochloride )-N-Methyl-&gamma -[4-(trifluoromethyl)phenoxy 3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine hydrochloride 56296-78-7 59333-67-4 910F893 AB04860 AC-1697 Adofen Adofen-d5 Affectine AK163170 AKOS015894939 Alental Alzac 20 Ansilan-d5 ANW-42507 Apo-Fluoxentine BCP19962 Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, hydrochloride Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, hydrochloride, (+-)- C17H18F3NO.HCl CAS-56296-78-7 CCG-39084 CCRIS 6150 CHEBI:145458 CHEMBL1201082 CPD000058452 Cramin CS-1838 CTK8B3427 D00823 Depreks Deproxin Digassim dl-N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine, HCl DSSTox_CID_635 DSSTox_GSID_20635 DSSTox_RID_75706 DTXSID7020635 EINECS 260-101-2 Equilibrane Erocap EU-0100558 F0750 F-132 Felicium Fluctin Fluctin-d5 Fluctine Fludac Fludeka Flufran Fluneurin Flunil Flunirin Fluoxac Fluoxeren Fluoxetin HCl Fluoxetine HCl Fluoxetine (hydrochloride) Fluoxetine HCl FLUOXETINE HYDROCHLORIDE Fluoxetine hydrochloride (JAN/USP) Fluoxetine hydrochloride [USAN:USP] Fluoxetine hydrochloride [USAN] Fluoxetine Hydrochloride 1.0 mg/ml in Methanol (as free base) Fluoxetine hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material Fluoxetine hydrochloride, British Pharmacopoeia (BP) Reference Standard Fluoxetine hydrochloride, European Pharmacopoeia (EP) Reference Standard Fluoxetine Hydrochloride, Pharmaceutical Secondary Standard Certified Reference Material Fluoxetine hydrochloride, solid Fluoxetine hydrochloride, United States Pharmacopeia (USP) Reference Standard Fluoxetine hydrochloride, VETRANAL(TM), analytical standard Fluoxetine hydrochoride fluoxetine hydrogen chloride Fluoxetine, HCl Fluoxetine, Hydrochloride Fluoxetine.HCl FluoxetineHydrochloride Fluoxifar Fluoxil Fluox-Puren Flutin Flutine Fluxen Fluxene Fluxil Fondur fontex Fontex-d5 Fonzac Foxetin Foxetin-d5 Framex FT-0626490 FT-0652216 FT-0668749 FT-0668750 FT-0668751 HMS1569H03 HMS1922F07 HSDB 6633 HY-B0102A J10277 J-521372 KM0299 KS-00000JJ6 KS-1061 Lilly 110140 Lorien Lovan Lovan-d Lovan-d5 LP00558 LS-185085 LS-31041 LS-7403 LY 110140 LY-110,140 hydrochloride LY110140 LY-110140 LY-110140 (free base) Margrilan methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine hydrochloride Methyl(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)ammonium chloride Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine hydrochloride Methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]ammonium chloride MFCD00214288 Mitilase MLS000069361 MLS001076338 MLS002222264 Modipran Motivone Mutan Mutin NC00715 NCGC00093943-01 NCGC00093943-02 NCGC00093943-03 NCGC00093943-04 NCGC00093943-05 NCGC00257736-01 NCGC00261243-01 Neupax N-METHYL-3-[(4-TRIFLUOROMETHYL)PHENOXY]-3-PHENYLPROPYLAMINE HYDROCHLORIDE N-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine hydrochloride N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propylamine Hydrochloride N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminehydrochloride N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminehydrochloride. N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine--hydrogen chloride (1/1) N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine Hydrochloride N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine hydrochloride Nopres NPL-2008 NSC714457 NSC-714457 NSC758685 NSC-758685 Nuzak Nycoflox Opera_ID_1538 Oxedep Pharmakon1600-01504173 Pragmaten Prestwick_798 Prizma Proctin Prodep Profluzac Propylamine, N-methyl-3-phenyl-3-(p-trifluoromethylphenoxy)-, hydrochloride Prozac Prozac (TN) Prozac 20 Prozac Weekly prozac(r) Prozac LY-110,140 hydrochloride Psipax Q27280620 Reconcile Rowexetina s1333 Sanzur Sarafem Sarafem (TN) Saurat SC-12129 SC-53387 SCHEMBL33384 Selfemra Seronil Sinzac Siquial SMR000058452 SPECTRUM1504173 SR-01000002988 SR-01000002988-2 SR-01000002988-4 SR-01000002988-9 SW196934-4 Tox21_200182 Tox21_500558 Tuneluz Verotina Z1741982921 Zactin Zedprex Zepax Zepax-d5

1.2 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
1.3 InChkey
GIYXAJPCNFJEHY-UHFFFAOYSA-N
1.4 Canonical Smiles
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
1.5 Isomers Smiles
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
2. Properties
2.1 Appearance
White to off-white powder
2.2 Density
1.254
2.3 Melting Point
158-159 °C
2.4 Boiling Point
395.1 °C at 760 mmHg
2.5 Refractive Index
1.63
2.6 Flash Point
192.8 °C
2.7 Solubility
Sol (mg/mL): methanol, ethanol >100; acetone, acetonitrile, chloroform 33-100; dichloromethane 5-10; ethyl acetate 2-2.5; toluene, cyclohexane, hexane 0.5-0.67
Maximum sol in water: 14 mg/mL
2.8 Color/Form
white
2.9 Stability
Stable. Incompatible with strong oxidizing agents.
2.9 Stability
2.10 HS Code
2922199090
2.11 Storage temp
-20°C Freezer
2.12 Spectral properties
UV max (methanol): 227, 264, 268, 275 nm
3. Safety and Handling
3.1 Hazard Codes
Xn
3.2 Risk Statements
22-38-41
3.3 Safety Statements
S26;S36/37/39
3.4 Safety
Hazard Codes:Xn
Risk Statements:22-38-41
22:Harmful if swallowed
38:Irritating to the skin
41:Risk of serious damage to eyes
Safety Statements:26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
WGK Germany:3
HazardClass:IRRITANT
3.5 PackingGroup
III
3.6 Transport
3249
3.7 Formulations/Preparations
Oral: Capsules: 10 mg (of fluoxetine), Prozac Pulvules (Dista), Sarafem Pulvules (Lilly); 20 mg (of fluoxetine), Prozac Pulvules (Dista), Sarafem Pulvules (Lilly); 40 mg (of fluoxetine), Prozac Pulvules (Dista). Capsules, delayed-release (containing enteric-coated pellets): 90 mg (of Fluoxetine) Prozac Weekly (Dista). Solution: 20 mg (of fluoxetine) per 5 ml, Prozac (with alcohol 0.23%) (Dista). Tablets: 10 mg (of fluoxetine) Prozac (scored) (Dista); 20 mg (of fluoxetine), Fluoxetine Hydrochloride Tablets (Par).
3.8 Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl fluoxetine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
3.9 Specification

White to Off-White Powder
usageEng:A selectiive derotonin reuptake inhibitor. Used as an antidepressant
Safety Statements:26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:345.79g/mol
  • Molecular Formula:C17H19ClF3NO
  • Compound Is Canonicalized:True
  • Exact Mass:345.111
  • Monoisotopic Mass:345.111
  • Complexity:308
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:21.3A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB6IYAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADBThmBYyBoLABACA AiBCAAACCAAgIAAIiIAOCIgMJiKEsRqGOCCm0BEIqAeQwKAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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