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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name5'-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2'',3,3'',5,5'',6,6''-octafluoro--4,4''-diamine IUPAC NameMolecular StructureCAS Registry Number 1872200-99-1SynonymsMolecular FormulaC24H18F3N3Molecular Weight405.422InChIInChI Key Patent InformationPatent IDTitlePublication DateCN115286516Ligand, covalent organic framework material, SWCNT/COF-ET59 composite film and application2022 Physical Data Appearance Spectra Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts1Hchloroform-d1Chemical shifts13Cchloroform-d1 5'-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2'',3,3'',5,5'',6,6''-octafluoro--4,4''-diamine CAS#: 1872200-99-1 NMR Route of Synthesis (ROS) ConditionsYieldWith tetrakis(tripheny...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name3-Aminopyridine2,7-diaminopyrene-4,5,9,10-tetraoneineIUPAC NameMolecular StructureCAS Registry Number 2459874-51-0SynonymsMolecular FormulaC16H8N2O4Molecular Weight292.25InChIInChI Key Patent InformationPatent IDTitlePublication DateCN111205195Carbonyl-containing covalent organic framework KT-Tp COFs material as well as preparation method and application thereof2020 Physical Data Appearance Spectra Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1H 2,7-diaminopyrene-4,5,9,10-tetraone CAS#：2459874-51-0 NMR Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °CBandsBands, Spectrum Route of Synthesis (ROS) Route of Synthesis (ROS) of 2,7-diaminopyrene-4,5,9,10-tetraone CAS 2459874-51-0 ConditionsYieldWith sodium dithi...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameL-(+)-ErgothioneineIUPAC Name(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoateMolecular StructureCAS Registry Number 497-30-3EINECS Number207-843-5MDL NumberMFCD00167474Beilstein Registry Number105692SynonymsERGOTHIONEINEL-(+)-Ergothioneine497-30-3L-ErgothioneineSympectothionErgothioninel-ThioneineThiolhistidine-betaineThioneine(S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoateBDZ3DQM98W58511-63-0L(+)-ErgothioneineThiasine(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate(S)-(1-Carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxideUNII-BDZ3DQM98WerythrothioneineL-Ergothionineergothioneine thiolergothioneine thioneNSC 7175thiolhistidinebetaineEINECS 207-843-5MFCD00167474Ergothioneine L-(+)ergothioneine thione formAI3-23492ERGOTHIONEINE ergothioneine (thione form)ERGOTHIO...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1-Ethoxy-2,2-Difluoroethan-1-olIUPAC Name1-ethoxy-2,2-difluoroethanol  Molecular StructureCAS Registry Number 148992-43-2EINECS NumberMDL NumberMFCD01321160Beilstein Registry NumberSynonyms1-Ethoxy-2,2-difluoroethanol148992-43-2Difluoroacetaldehyde Ethyl Hemiacetal1-ethoxy-2,2-difluoroethan-1-olMFCD01321160SCHEMBL6350971-Ethoxy-2,2-difluoro-ethanolDTXSID40374237difluoroacetaldehyde ethylhemiacetaldifluroacetaldehyde ethyl hemiacetalEthanol, 1-ethoxy-2,2-difluoro-BBL103964STL557774AKOS015838744AM803241AS-48264SY007828CS-0179771D2523FT-0691024EN300-64372F30106992D432J-008539Molecular FormulaC4H8F2O2Molecular Weight126.1InChIInChI=1S/C4H8F2O2/c1-2-8-4(7)3(5)6/h3-4,7H,2H2,1H3  InChI KeyWEEOMNFWRCDRJI-UHFFFAOYSA-N Canonical SMILES Patent InformationPatent IDTitlePublication Date JP2017/128536MANUFACTURING METHOD OF α,α-DIFLUORO ACETALDEHYDE2017CN107438592Preservation method of ...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameTrimethoprimIUPAC Name 5-pyrimidine-2,4-diamine Molecular StructureCAS Registry Number 738-70-5EINECS Number212-006-2MDL NumberMFCD00006400Beilstein Registry Number625127Synonymstrimethoprim738-70-5ProloprimTrimpexTrimetoprimBactraminMonotrimMonotriminTrimopanWellcoprim2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidineMonoprimSyraprimTrimanylTriprimUretrim5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamineTrimethoprimumTrimethoprime5-pyrimidine-2,4-diamineNSC-106568NIH 204Primsolcomponent of BactrimBW 56-722,4-Pyrimidinediamine, 5--InfectotrimetTCMDC-1255385-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamineTrimethoprim-d95--2,4-pyrimidinediamineNSC 1065685-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidineBW-56-72CHEBI:45924CHEMBL22Trimpex (TN)2,4-Pyrimidinediamine, 5-((3,4,5-trimethoxyphenyl)methyl)-AbaprimMFCD00036761Apo-SulfatrimBW 5672Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxyben...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1-Ethoxy-2,2-Difluoroethan-1-olIUPAC Name1-ethoxy-2,2-difluoroethanol  Molecular StructureCAS Registry Number 148992-43-2EINECS NumberMDL NumberMFCD01321160Beilstein Registry NumberSynonyms1-Ethoxy-2,2-difluoroethanol148992-43-2Difluoroacetaldehyde Ethyl Hemiacetal1-ethoxy-2,2-difluoroethan-1-olMFCD01321160SCHEMBL6350971-Ethoxy-2,2-difluoro-ethanolDTXSID40374237difluoroacetaldehyde ethylhemiacetaldifluroacetaldehyde ethyl hemiacetalEthanol, 1-ethoxy-2,2-difluoro-BBL103964STL557774AKOS015838744AM803241AS-48264SY007828CS-0179771D2523FT-0691024EN300-64372F30106992D432J-008539Molecular FormulaC4H8F2O2Molecular Weight126.1InChIInChI=1S/C4H8F2O2/c1-2-8-4(7)3(5)6/h3-4,7H,2H2,1H3  InChI KeyWEEOMNFWRCDRJI-UHFFFAOYSA-N Canonical SMILES Patent InformationPatent IDTitlePublication Date JP2017/128536MANUFACTURING METHOD OF α,α-DIFLUORO ACETALDEHYDE2017CN107438592Preservation method of ...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameCarisoprodolIUPAC NameMolecular StructureCAS Registry Number 78-44-4EINECS Number201-118-7MDL NumberSynonymscarisoprodol78-44-4IsomeprobamateCarisoprodateSOMACarisoprodatumCarisomaIsobamateIsoprotaneIsoprothaneSanomaIsopropyl meprobamateAtonalytFlexartalMiolisodalMioratrinaSkutamilSomalgitApesanArusalFlexalMiorilNospasmRelasomSomanilRELACarlsoprolBrianilCalenfaCaprodatCarisolCarlsodolCarlsomaCarsodalDioleneDomaraxIsoprotanIzoprotanMediquilMioriodolSomadrilStialginCarisoprodolumCarsodolCarisoprodolum Tonolyt isopropyl meprobamateNCI-C56235SCH 7307MiolisodolFlexartelCB 8019Carisoprodol civ2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate N-propan-2-ylcarbamate(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl esterNSC-172124Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamateMLS000028401CHEBI:3419ArtifarCaridolinC...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameCarisoprodolIUPAC NameMolecular StructureCAS Registry Number 78-44-4EINECS Number201-118-7MDL NumberSynonymscarisoprodol78-44-4IsomeprobamateCarisoprodateSOMACarisoprodatumCarisomaIsobamateIsoprotaneIsoprothaneSanomaIsopropyl meprobamateAtonalytFlexartalMiolisodalMioratrinaSkutamilSomalgitApesanArusalFlexalMiorilNospasmRelasomSomanilRELACarlsoprolBrianilCalenfaCaprodatCarisolCarlsodolCarlsomaCarsodalDioleneDomaraxIsoprotanIzoprotanMediquilMioriodolSomadrilStialginCarisoprodolumCarsodolCarisoprodolum Tonolyt isopropyl meprobamateNCI-C56235SCH 7307MiolisodolFlexartelCB 8019Carisoprodol civ2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate N-propan-2-ylcarbamate(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl esterNSC-172124Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamateMLS000028401CHEBI:3419ArtifarCaridolinC...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1,3,5-Tris(4-bromophenyl)benzeneIUPAC Name1,3,5-tris(4-bromophenyl)benzene  Molecular StructureCAS Registry Number 7511-49-1MDL NumberMFCD00362911Beilstein Registry NumberSynonyms1,3,5-Tris(4-bromophenyl)benzene7511-49-14,4''-Dibromo-5'-(4-bromophenyl)-1,1':3',1''-terphenylMFCD003629111,3,5-Tris(4-bromophenyl)benzene, 97%1,1':3',1''-Terphenyl, 4,4''-dibromo-5'-(4-bromophenyl)-NSC30660YSZC302SCHEMBL920518DTXSID802832531,3,5-tris(p-bromophenyl)benzeneBCP10907ZINC1661223BBL102452NSC-30660STL556254Methanone, cyclobutyl-1-pyrrolidinyl-AKOS004904482CS-W004614AS-19358SY029543FT-0704714T2644F18797511T491A847512Molecular FormulaC24H15Br3Molecular Weight543.088InChIInChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H  InChI KeyHJQRITCAXSBOPC-UHFFFAOYSA-N  Canonical SMILE...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1,3,5-Tris(4-bromophenyl)benzeneIUPAC Name1,3,5-tris(4-bromophenyl)benzene  Molecular StructureCAS Registry Number 7511-49-1MDL NumberMFCD00362911Beilstein Registry NumberSynonyms1,3,5-Tris(4-bromophenyl)benzene7511-49-14,4''-Dibromo-5'-(4-bromophenyl)-1,1':3',1''-terphenylMFCD003629111,3,5-Tris(4-bromophenyl)benzene, 97%1,1':3',1''-Terphenyl, 4,4''-dibromo-5'-(4-bromophenyl)-NSC30660YSZC302SCHEMBL920518DTXSID802832531,3,5-tris(p-bromophenyl)benzeneBCP10907ZINC1661223BBL102452NSC-30660STL556254Methanone, cyclobutyl-1-pyrrolidinyl-AKOS004904482CS-W004614AS-19358SY029543FT-0704714T2644F18797511T491A847512Molecular FormulaC24H15Br3Molecular Weight543.088InChIInChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H  InChI KeyHJQRITCAXSBOPC-UHFFFAOYSA-N  Canonical SMILE...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameL-(+)-ErgothioneineIUPAC Name(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoateMolecular StructureCAS Registry Number 497-30-3EINECS Number207-843-5MDL NumberMFCD00167474Beilstein Registry Number105692SynonymsERGOTHIONEINEL-(+)-Ergothioneine497-30-3L-ErgothioneineSympectothionErgothioninel-ThioneineThiolhistidine-betaineThioneine(S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoateBDZ3DQM98W58511-63-0L(+)-ErgothioneineThiasine(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate(S)-(1-Carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxideUNII-BDZ3DQM98WerythrothioneineL-Ergothionineergothioneine thiolergothioneine thioneNSC 7175thiolhistidinebetaineEINECS 207-843-5MFCD00167474Ergothioneine L-(+)ergothioneine thione formAI3-23492ERGOTHIONEINE ergothioneine (thione form)ERGOTHIO...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameTrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acidIUPAC Name4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid  Molecular StructureCAS Registry Number 65355-33-1MDL NumberMFCD22379991Synonymstrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acidtrans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acidtrans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acidtrans-4-(trans-4-pentylcyclohexyl)cyclohexanecarboxylic acid(TRANS,TRANS)-4'-PENTYL--4-CARBOXYLIC ACID5309-12-64'-Pentyl-bicyclohexyl-4-carboxylic acidtrans-4-(trans-4-AmylcycloheSCHEMBL1961977SCHEMBL1961978SCHEMBL4159828SCHEMBL4159836SCHEMBL9340270SCHEMBL12918855DTXSID00967609Molecular FormulaC18H32O2Molecular Weight280.451InChIInChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(...
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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameTrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acidIUPAC Name4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid  Molecular StructureCAS Registry Number 65355-33-1MDL NumberMFCD22379991Synonymstrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acidtrans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acidtrans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acidtrans-4-(trans-4-pentylcyclohexyl)cyclohexanecarboxylic acid(TRANS,TRANS)-4'-PENTYL--4-CARBOXYLIC ACID5309-12-64'-Pentyl-bicyclohexyl-4-carboxylic acidtrans-4-(trans-4-AmylcycloheSCHEMBL1961977SCHEMBL1961978SCHEMBL4159828SCHEMBL4159836SCHEMBL9340270SCHEMBL12918855DTXSID00967609Molecular FormulaC18H32O2Molecular Weight280.451InChIInChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(...
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Icariin CAS #: 118525-40-9

Identification Physical Data Spectra Route of Synthesis (ROS) Safety and Hazards Other Data Identification Product NameIcariinIUPAC Name3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one  Molecular Structure CAS 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 Information Patent IDTitlePublication DateWO2022/104153 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS  2022CN113180043 Application of chitin hydrolase inhibitor in regul...
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