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Alentemol

CAT: 0013-GTR19209273-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209273-02Size:50 mg
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Description
Alentemol (U-66444B) is a selective dopamine autoreceptor agonist with antipsychotic properties. Research applications include studying its mechanism in cellular models, such as its induction of heterochromatin undercondensation leading to chromosomal breakage in CHO-K1 cells in vitro.
CAS Number
112891-97-1
Smiles
N (CCC) (CCC) C1CC2=C3C (C1) =CC=CC3=CC (O) =C2
Molecular Formula
C19H25NO
Molecular Weight
283.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alentemol

Alentemol is an ortho- and peri-fused tricyclic hydrocarbon.

CAS Number112891-97-1
PubChem CID60574
IUPAC Name5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol
Molecular FormulaC19H25NO
Molecular Weight283.4
XLogP5
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity326
SMILES
CCCN(CCC)C1CC2=CC=CC3=CC(=CC(=C23)C1)O
InChI
InChI=1S/C19H25NO/c1-3-8-20(9-4-2)17-10-14-6-5-7-15-12-18(21)13-16(11-17)19(14)15/h5-7,12-13,17,21H,3-4,8-11H2,1-2H3
InChIKey
TWUJBHBRYYTEDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alentemol
CAS: 112891-97-1
CID: 60574
Formula: C19H25NO
MW: 283.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass283.193614421
Monoisotopic Mass283.193614421
Topological Polar Surface Area23.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71407-01Alentemol
MBS5774781Alentemol hydrobromide

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