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Icariin CAS #: 118525-40-9

Icariin CAS #: 118525-40-9
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification



Product NameIcariinIUPAC Name3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one  Molecular Structurestructure of CAS-118525-40-9CAS Registry Number 118525-40-9EINECS NumberNo available dataMDL NumberMFCD22422519Beilstein Registry NumberNo available dataSynonymsicaritinanhydroicaritin3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneicariinAHIICTMolecular FormulaC21H20O6Molecular Weight368.386InChIInChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3  InChI KeyTUUXBSASAQJECY-UHFFFAOYSA-N  Canonical SMILESCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C  

Patent InformationPatent IDTitlePublication DateWO2022/104153COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS 2022CN113180043Application of chitin hydrolase inhibitor in regulation of insect growth activity2021CN113024602Phosphate ester derivative of herba epimedii as well as preparation method and application of phosphate ester derivative2021

Physical Data



AppearanceYellow needle crystal or yellow crystalline powderSolubilityNo data availableFlash PointNo data availableRefractive indexNo data availableSensitivityNo data available

Melting Point, °C Solvent (Melting Point) 178 - 180253207 - 208methanol231 - 232methanol

Spectra



Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1H
dimethylsulfoxide-d6400HMBC (Heteronuclear Multiple Bond Coherence), Spectrum1H, 13Cdimethylsulfoxide-d6No data available

Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °CBandspotassium bromide 27Bandspotassium bromide14.85 - 54.85

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1SpectrummethanolNo data available271, 321, 372No available dataAbsorption maxima
methanolNo data available
368No available data

Route of Synthesis (ROS)



Route of Synthesis (ROS) of Icariin CAS #: 118525-40-9

ConditionsYieldWith sulfuric acid; glacial acetic acid at 90℃; for 6h;92%With hydrogen; triethylamine In ethanol; water at 110℃; under 30003 Torr; for 24h; Autoclave;98%

Safety and Hazards



GHS Hazard StatementsNot Classified

Other Data



TransportationStore at room temperature, sealed and away from lightHS CodeNo data availableStorageStore at 2-8℃ for long time, Sealed and away from lightShelf Life1 year

DruglikenessLipinski rules componentMolecular Weight368.386logP4.751HBA2HBD3Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)96.22Rotatable Bond (RotB)4Matching Veber Rules2

BioactivityPharmacological Data

1 of 3Comment (Pharmacological Data)Bioactivities presentReferenceCurrent Patent Assignee: AMOREPACIFIC CORP. - WO2007/64085, 2007, A12 of 3Comment (Pharmacological Data)Bioactivities presentReferenceCurrent Patent Assignee: BEIJING SHENOGEN PHARMA GROUP - WO2008/52005, 2008, A23 of 3Comment (Pharmacological Data)Bioactivities presentReferenceCurrent Patent Assignee: LUNAN PHARMACEUTICAL GROUP CO LTD - US2016/250243, 2016, A1

Use PatternIcariin CAS #：118525-40-9 is used Pharmaceuticals and prevent thrombocytopenia,preventing bone marrow suppression
https://www.chemwhat.com/icariin-cas-118525-40-9/

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