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LY 215840

CAT: 0013-GTR19201164-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201164-03Size:25 mg
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Description
This small molecule is a dual antagonist of the serotonin 5-HT2 and 5-HT7 receptors. It is a valuable research tool for investigating serotonergic signaling in neuropsychiatric disorders, with applications in both in vitro binding assays and in vivo behavioral studies.
CAS Number
137328-52-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C) (C) N1C2=C3C ([C@@]4 ([C@@] (CC3=C1) (N (C) C[C@H] (C (N[C@@H]5[C@H] (O) CCC5) =O) C4) [H]) [H]) =CC=C2
Molecular Formula
C24H33N3O2
Molecular Weight
395.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY-215,840

structure given in first source; a potent 5-hydroxytryptamine (5-HT)2 receptor antagonist

CAS Number137328-52-0
PubChem CID132049
IUPAC Name(6aR,9R)-N-[(1S,2R)-2-hydroxycyclopentyl]-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular FormulaC24H33N3O2
Molecular Weight395.5
XLogP2.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity625
SMILES
CC(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)C(=O)N[C@H]4CCC[C@H]4O)C5=C2C1=CC=C5
InChI
InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)/t16-,18?,19+,21-,22-/m1/s1
InChIKey
IMSDOBUYDTVEHN-LUKLFJNJSA-N
Chemical Structure
2D Structure
2D structure of LY-215,840
CAS: 137328-52-0
CID: 132049
Formula: C24H33N3O2
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass395.25727730
Monoisotopic Mass395.25727730
Topological Polar Surface Area57.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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