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JHW 007 hydrochloride

CAT: 0013-GTR19201216Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201216Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JHW 007 hydrochloride is a selective small molecule inhibitor of the dopamine transporter (DAT) . It is utilized in neuroscience research to study dopaminergic signaling, with applications in both in vitro binding assays and in vivo models of dopamine-related disorders.
CAS Number
202645-74-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCC) N1[C@]2 (C[C@H] (OC (C3=CC=C (F) C=C3) C4=CC=C (F) C=C4) C[C@@]1 (CC2) [H]) [H].Cl
Molecular Formula
C24H30ClF2NO
Molecular Weight
421.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

JHW 007 Hydrochloride
CAS Number202645-74-7
PubChem CID71771746
IUPAC Name(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-butyl-8-azabicyclo[3.2.1]octane;hydrochloride
Molecular FormulaC24H30ClF2NO
Molecular Weight421.9
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity437
SMILES
CCCCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl
InChI
InChI=1S/C24H29F2NO.ClH/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18;/h4-11,21-24H,2-3,12-16H2,1H3;1H/t21-,22+,23?;
InChIKey
RHYMGBAYGRUKNZ-DHWZJIOFSA-N
Chemical Structure
2D Structure
2D structure of JHW 007 Hydrochloride
CAS: 202645-74-7
CID: 71771746
Formula: C24H30ClF2NO
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass421.1983986
Monoisotopic Mass421.1983986
Topological Polar Surface Area12.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity437
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

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