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Amitifadine hydrochloride

CAT: 0013-GTR19155046-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155046-01Size:250 mg
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Description
A triple monoamine reuptake inhibitor that inhibits the reuptake of [3H]serotonin, [3H]norepinephrine, and [3H]dopamine in HEK 293 cells expressing the corresponding human recombinant transporters (IC50 values of 12, 23, and 96 nM, respectively) .
CAS Number
410074-74-7
Purity
>98%
Smiles
ClC1=C (Cl) C=CC (C23CC2CNC3) =C1.[H]Cl
Molecular Formula
C11H12Cl3N
Molecular Weight
264.5787
Notes
For research use only.

Chemical Information

3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CAS Number410074-74-7
PubChem CID11680542
IUPAC Name(1R,5S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
Molecular FormulaC11H12Cl3N
Molecular Weight264.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity245
SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC(=C(C=C3)Cl)Cl.Cl
InChI
InChI=1S/C11H11Cl2N.ClH/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;/h1-3,8,14H,4-6H2;1H/t8-,11+;/m1./s1
InChIKey
KAGBHVBIOJBGBD-NINOIYOQSA-N
Chemical Structure
2D Structure
2D structure of 3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CAS: 410074-74-7
CID: 11680542
Formula: C11H12Cl3N
MW: 264.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass263.003532
Monoisotopic Mass263.003532
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes