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U-101958 Maleate

CAT: 0013-GTR19196271-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196271-01Size:25 mg
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Description
U-101958 Maleate is a high-affinity ligand for the dopamine D4 receptor and also exhibits significant binding to sigma1-like receptors in human cerebellum and SK-N-MC cells. This compound is a valuable research tool for investigating receptor pharmacology and neuropsychiatric disorders in both in vitro and in vivo experimental models.
CAS Number
224170-09-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (=C\C (O) =O) \C (O) =O.N (C) (C1=C (OC (C) C) C=CC=N1) C2CCN (CC3=CC=CC=C3) CC2
Molecular Formula
C25H33N3O5
Molecular Weight
455.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

U-101958 maleate
CAS Number224170-09-6
PubChem CID11957730
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine;(Z)-but-2-enedioic acid
Molecular FormulaC25H33N3O5
Molecular Weight455.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity494
SMILES
CC(C)OC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C21H29N3O.C4H4O4/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18;5-3(6)1-2-4(7)8/h4-10,13,17,19H,11-12,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
KPYPLDPMBWPEBO-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of U-101958 maleate
CAS: 224170-09-6
CID: 11957730
Formula: C25H33N3O5
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass455.24202116
Monoisotopic Mass455.24202116
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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