Products for Research Use Only

H27485

CAT: 0013-GTR19272743-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272743-02Size:5 mg
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Description
H27485 is a high-affinity dopamine transporter (DAT) inhibitor (Ki = 6.3 nM) that modulates neural signaling by blocking dopamine reuptake; it is commonly used in pharmacological studies of the dopaminergic system and related neurological disorders.
CAS Number
95586-99-5
Purity
99.81% (May vary between batches)
Smiles
C (CCN1C[C@@H] (C) N[C@H] (C) C1) N2C=3C (C=4C2=CC=CC4) =CC=CC3
Molecular Formula
C21H27N3
Molecular Weight
321.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9H-Carbazole, 9-[3-(3,5-dimethyl-1-piperazinyl)propyl]-, (3R-trans)-
CAS Number95586-99-5
PubChem CID853167
IUPAC Name9-[3-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Molecular FormulaC21H27N3
Molecular Weight321.5
XLogP3.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity380
SMILES
C[C@@H]1CN(C[C@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17-/m1/s1
InChIKey
GUDVQJXODNJRIJ-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of 9H-Carbazole, 9-[3-(3,5-dimethyl-1-piperazinyl)propyl]-, (3R-trans)-
CAS: 95586-99-5
CID: 853167
Formula: C21H27N3
MW: 321.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass321.220497874
Monoisotopic Mass321.220497874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes