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Eplivanserin (mixture)

CAT: 0804-HY-10792A-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10792A-04Size:100 mg
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Description
Eplivanserin mixture (SR-46349 mixture) is a selective serotonin reuptake inhibitor and a 5-HT2A receptor antagonist, extracted from patent WO 2005/002578 A1[1].
CAS Number
130581-13-4
Product Name Alternative
SR-46349 (mixture)
UNSPSC
12352005
Target
5-HT Receptor; Serotonin Transporter
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/eplivanserin-mixture.html
Purity
99.68
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OC1=CC=C(/C=C/C(C2=CC=CC=C2F)=N/OCCN(C)C)C=C1
Molecular Formula
C19H21FN2O2
Molecular Weight
328.38
References & Citations
[1]BERMAN, Robert, Mark, et al. COMPOSITIONS CONTAINING A SEROTONIN SELECTIVE REUPTAKE INHIBITOR AND A 5-HT2A RECEPTOR ANTAGONIST. WO 2005/002578 A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
5-HT2 Receptor; α-1 microglobulin

Chemical Information

Eplivanserin

Eplivanserin has been used in trials studying the treatment of Sleep, Insomnia, Chronic Pain, Fibromyalgia, and Primary Insomnia, among others.

CAS Number130581-13-4
PubChem CID135456190
IUPAC Name4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
Molecular FormulaC19H21FN2O2
Molecular Weight328.4
XLogP4.1
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity418
SMILES
CN(C)CCO/N=C(/C=C/C1=CC=C(C=C1)O)\C2=CC=CC=C2F
InChI
InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-
InChIKey
VAIOZOCLKVMIMN-PRJWTAEASA-N
Chemical Structure
2D Structure
2D structure of Eplivanserin
CAS: 130581-13-4
CID: 135456190
Formula: C19H21FN2O2
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass328.15870608
Monoisotopic Mass328.15870608
Topological Polar Surface Area45.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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