Fluoxetine.HCl

ID: ALA1201082

Chembl Id: CHEMBL1201082

Cas Number: 59333-67-4

PubChem CID: 62857

Product Number: F133931

Max Phase: Approved

First Approval: 1987

Molecular Formula: C17H19ClF3NO

Molecular Weight: 309.33

Molecule Type: Small molecule

Names and Identifiers

Synonyms: Adofen | Fluctin | Fluneurin | Fluox-puren | Fluoxeren | Fluoxetine (as hydrochloride) | Fluoxetine hydrochloride | Flusol | Fluxet | Fontex | Foxetin | Lovan | Reconcile | LY-110140 | LY110140 | FLUOXETINE HYDROCHLORIDE|56296-78-7|Fluoxetine Hcl|Prozac|59333-67-4|Sarafem|Fluoxeren|Adofen|Fluctin|Lovan|Fontex|Foxetin|Fluox-Puren|Fluneurin|Fluoxetine (hydrochloride)|Affectine|Deproxin|Digassim|Fluctine|Margrilan|Modipran|Pragmaten|Reconcile|Rowexetina|Erocap|Fludac|Flufran|Flunil|Fluoxac|Fluoxil|Show More⌵

Trade Names(14): Felicium | Fluoxetine | Fluoxetine hydrochloride | Olena | Oxactin | Prozac | Prozac 60 | Prozac weekly | Prozep | Prozit | Ranflutin | Reconcile | Sarafem | Selfemra

Canonical SMILES:  CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl

Standard 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

Standard InChI Key:  GIYXAJPCNFJEHY-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: Yes

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: Yes

Chirality: No

Availability: Yes

Prodrug: No

Calculated Properties

Molecular Weight: 309.33

Molecular Weight (Monoisotopic): 309.1340

AlogP: 4.44

#Rotatable Bonds: 6

Polar Surface Area: 21.26

Molecular Species: BASE

HBA: 2

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 9.80

CX LogP: 4.17

CX LogD: 1.83

Aromatic Rings: 2

Heavy Atoms: 22

QED Weighted: 0.85

Np Likeness Score: -0.35

References

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Source

Source(12):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• Open TG-GATEs
• USP Dictionary of USAN and International Drug Names
• CO-ADD antimicrobial screening data
• British National Formulary
• SARS-CoV-2 Screening Data 2020-21
• EUbOPEN Chemogenomic Library
• European Medicines Agency
• EU-OPENSCREEN dataset