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L 775,606

CAT: 0804-HY-123442Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-123442Size:1 Each
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Description
L 775,606 is a potent and selective 5-HT1D receptor agonist. L 775,606 can be used to study migraine headache[1].
CAS Number
188400-51-3
UNSPSC
12352005
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/l-775-606.html
Smiles
FC1=CC(CCN2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5)=CC=C1
Molecular Formula
C25H29FN6
Molecular Weight
432.54
References & Citations
[1]Prueksaritanont T, et al. Interspecies comparison and role of human cytochrome P450 and flavin-containing monooxygenase in hepatic metabolism of L-775,606, a potent 5-HT (1D) receptor agonist. Xenobiotica. 2000 Jan;30 (1) :47-59.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor

Chemical Information

L-775,606
CAS Number188400-51-3
PubChem CID6426760
IUPAC Name3-[3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
Molecular FormulaC25H29FN6
Molecular Weight432.5
XLogP3.7
Topological Polar Surface Area53
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity565
SMILES
C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC=C5)F
InChI
InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
InChIKey
ZUTQCPBDRJBADG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-775,606
CAS: 188400-51-3
CID: 6426760
Formula: C25H29FN6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass432.24377311
Monoisotopic Mass432.24377311
Topological Polar Surface Area53 Ų
Heavy Atom Count32
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes