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Norfluoxetine-d5

CAT: 0804-HY-135556ASSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135556ASSize:1 mg
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Description
Norfluoxetine-d5 is the deuterium labeled Norfluoxetine[1].
CAS Number
1185132-92-6
UNSPSC
12352005
Hazard Statement
H410
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
FC(F)(F)C(C=C1)=CC=C1OC(C2=CC=CC=C2)([2H])C([2H])([2H])C([2H])([2H])N.Cl
Molecular Formula
C16H12D5ClF3NO
Molecular Weight
336.79
Precautions
H410
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Norfluoxetine-d5 Hydrochloride
CAS Number1185132-92-6
PubChem CID45040123
IUPAC Name1,1,2,2,3-pentadeuterio-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
Molecular FormulaC16H17ClF3NO
Molecular Weight336.79
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity294
SMILES
[2H]C([2H])(C([2H])([2H])N)C([2H])(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
InChI
InChI=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/i10D2,11D2,15D;
InChIKey
GMTWWEPBGGXBTO-KDPCSTGBSA-N
Chemical Structure
2D Structure
2D structure of Norfluoxetine-d5 Hydrochloride
CAS: 1185132-92-6
CID: 45040123
Formula: C16H17ClF3NO
MW: 336.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass336.1264601
Monoisotopic Mass336.1264601
Topological Polar Surface Area35.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity294
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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