NORFLUOXETINE HYDROCHLORIDE structure, CAS 57226-68-3

NORFLUOXETINE HYDROCHLORIDE

CAS Number57226-68-3

Synonyms3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride; Benzenepropanamine, γ-(4-(trifluoromethyl)phenoxy)-, hydrochloride; 3-Phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1); Benzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1)

Molecular FormulaC16H17ClF3NO

Molecular Weight331.760

Purity98.00%

Density1.204g/cm3

Boiling Point381.1ºC at 760 mmHg

Melting Point

Flash Point

Appearanceyellow solid

EINECS

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Cat. No.: 2A-1173024 Purity: 98.00%
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Quality Control of [ 57226-68-3 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number57226-68-3
Catalog No.2A-1173024
Chinese Name去甲氟西汀
Synonyms3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride; Benzenepropanamine, γ-(4-(trifluoromethyl)phenoxy)-, hydrochloride; 3-Phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1); Benzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1)
Molecular FormulaC16H17ClF3NO
Molecular Weight331.760
Purity98.00
Density1.204g/cm3
Boiling Point381.1ºC at 760 mmHg
Appearanceyellow solid
Water SolubilityH2O: >4 mg/mL
Storage Condition-20°C, sealed, dry
ApplicationNorfluoxetine hydrochloride is an active N-desmethyl metabolite of fluoxetine. Fluoxetine is a selective serotonin (5-HT) reuptake inhibitor that is metabolized to norfluoxetine hydrochloride via cyto
PubChem ID10251130
SMILESCl.NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO.ClH/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;1H
InChI KeyGMTWWEPBGGXBTO-UHFFFAOYSA-N
Hazard Symbolstransportation
MSDSmsds/173688_2_57226_68_3.pdf
BioactivityNorfluoxetine hydrochloride is an active N-demethylated metabolite of Fluoxetine. Fluoxetine is a selective serotonin (5-HT) reuptake inhibitor that is metabolized to Norfluoxetine hydrochloride by cytochrome P450 (CYP) 2D6, CYP2C19, and CYP3A4. Norfluoxetine hydrochloride inhibits 5-HT uptake and inhibits CaV3.3 T current (IC50 = 5 μM). Norfluoxetine hydrochloride has anticonvulsant activity[1][2][3][4]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Target 5-HT Receptor Cav3.3:5 μM (IC50) In Vivo Pretreatment with Fluoxetine or Norfluoxetine hydrochloride (20mg/kg s.c.), as well as Phenytoin (30 mg/kg s.c.) and Clonazepam (0.1mg/kg s.c.) significantly increases both the rate and duration of survival, demonstrating a significant protective effect against Pentylenetetrazol-induced epilepsy[1]. References [1]. Valéria Kecskeméti, et al. Norfluoxetine and fluoxetine have similar anticonvulsant and Ca2+ channel blocking potencies. Brain Res Bull. 2005 Sep 30;67(1-2):126-32. [2]. Achraf Traboulsie, et al. T-type calcium channels are inhibited by fluoxetine and its metabolite norfluoxetine. Mol Pharmacol. 2006 Jun;69(6):1963-8. [3]. Hyeon-Cheol Jeong, et al. Prediction of Fluoxetine and Norfluoxetine Pharmacokinetic Profiles Using Physiologically Based Pharmacokinetic Modeling. Clin Pharmacol. 2021 Nov;61(11):1505-1513. [4]. D T Wong, et al. Norfluoxetine enantiomers as inhibitors of serotonin uptake in rat brain. Neuropsychopharmacology. 1993 Jun;8(4):337-44. Chemical & Physical Properties Density 1.204g/cm3 Boiling Point 381.1ºC at 760 mmHg Molecular Formula C16H17ClF3NO Molecular Weight 331.760 Flash Point 184.3ºC Exact Mass 331.095062 PSA 35.25000 LogP 5.67660 InChIKey GMTWWEPBGGXBTO-UHFFFAOYSA-N SMILES Cl.NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 Water Solubility H2O: >4 mg/mL
Use ofProperties Articles29 Name Norfluoxetine hydrochloride Synonym More Synonyms Norfluoxetine hydrochloride Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor 5-HT Receptor Cav3.3:5 μM (IC50) References [1]. Valéria Kecskeméti, et al. Norfluoxetine and fluoxetine have similar anticonvulsant and Ca2+ channel blocking potencies. Brain Res Bull. 2005 Sep 30;67(1-2):126-32. [2]. Achraf Traboulsie, et al. T-type calcium channels are inhibited by fluoxetine and its metabolite norfluoxetine. Mol Pharmacol. 2006 Jun;69(6):1963-8. [3]. Hyeon-Cheol Jeong, et al. Prediction of Fluoxetine and Norfluoxetine Pharmacokinetic Profiles Using Physiologically Based Pharmacokinetic Modeling. Clin Pharmacol. 2021 Nov;61(11):1505-1513. [4]. D T Wong, et al. Norfluoxetine enantiomers as inhibitors of serotonin uptake in rat brain. Neuropsychopharmacology. 1993 Jun;8(4):337-44. Chemical & Physical Properties Exact Mass 331.095062 PSA 35.25000 LogP 5.67660 InChIKey GMTWWEPBGGXBTO-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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