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CAS 114247-09-5 R-(-)-Fluoxetine hydrochloride molecular structure lightbox
CAS RN: 114247-09-5

R-(-)-Fluoxetine hydrochloride

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Batchno.20250808 5mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS114247-09-5
  • Purity/Analytical Methods: >99.0%
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114247-09-5 / (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride

FLUOXETINE HYDROCHLORIDE | Fluoxetine Hcl | Fluctin

Standard CAS: 114247-09-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114247-09-5
Multi CAS
Yes
Molecular Formula
C17H19ClF3NO
Molecular Weight
345.800000
Exact Mass
345.110726
SMILES
CNCC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
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/t16-;/m1./s1
InChIKey
GIYXAJPCNFJEHY-PKLMIRHRSA-N
Synonyms
FLUOXETINE HYDROCHLORIDE Fluoxetine Hcl Fluctin Adofen Fluoxeren

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.05
TPSA
21.26

LogP / Solubility

WLOGP
4.86
MLOGP
4.29
XLogP3
4.86
Consensus LogP
4.67
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501

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