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(±) -Fabesetron (hydrochloride)

CAT: 0804-HY-101638Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-101638Size:1 Each
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Description
(±) -Fabesetron hydrochloride ((±) -FK1052) is the racemate of Fabesetron hydrochloride, which is a potent 5-HT3 and 5-HT4 receptor dual antagonist[1].
CAS Number
129299-81-6
Product Name Alternative
(±) -FK1052
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/FK_1052_(hydrochloride).html
Solubility
10 mM in DMSO
Smiles
O=C1C(CC2=C(C)N=CN2)CCC(N31)=C(C)C4=C3C=CC=C4.[H]Cl
Molecular Formula
C18H20ClN3O
Molecular Weight
329.82
References & Citations
[1]Kadowaki M, et al. Effect of FK1052, a potent 5-hydroxytryptamine3 and 5-hydroxytryptamine4 receptor dual antagonist, on colonic function in vivo. J Pharmacol Exp Ther. 1993 Jul;266 (1) :74-80.|[2]Yamakuni H, et al. Probable involvement of the 5-hydroxytryptamine (4) receptor in methotrexate-induced delayed emesis in dogs. J Pharmacol Exp Ther. 2000 Mar;292 (3) :1002-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Apolipoprotein D; lactoferrin

Chemical Information

FK1052 hydrochloride
CAS Number129299-81-6
PubChem CID9949384
IUPAC Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
Molecular FormulaC18H20ClN3O
Molecular Weight329.8
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity440
SMILES
CC1=C2CCC(C(=O)N2C3=CC=CC=C13)CC4=C(NC=N4)C.Cl
InChI
InChI=1S/C18H19N3O.ClH/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15;/h3-6,10,13H,7-9H2,1-2H3,(H,19,20);1H
InChIKey
POKFYJWUPWZYQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FK1052 hydrochloride
CAS: 129299-81-6
CID: 9949384
Formula: C18H20ClN3O
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass329.1294900
Monoisotopic Mass329.1294900
Topological Polar Surface Area50.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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