Skip to main content
L-(+)-Ergothioneine CAS#: 497-30-3
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)ERGOTHIONEINE SCHEMBL188140CHEBI:4828SCHEMBL9985141CHEBI:82707DTXSID901020082HMS2089D042-mercaptohistidine trimethylbetaineHY-N1914CCG-2079081H-Imidazole-4-ethanaminium, .alpha.-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (.alpha.S)-1H-Imidazole-4-ethanaminium, alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (S)-CS-0018211D83035AB01275464-01Molecular FormulaC9H15N3O2SMolecular Weight229.30InChIInChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1InChI KeySSISHJJTAXXQAX-ZETCQYMHSA-NCanonical SMILESC(C)(C)C(CC1=CNC(=S)N1)C(=O)

Physical Data

AppearanceWhite to light yellow

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Spectrum1HD2OSpin-spin coupling constantsD2O

Route of Synthesis (ROS)

Route of Synthesis (ROS) of L-(+)-Ergothioneine CAS 497-30-3

ConditionsYieldWith hydrogen; triethylamine In ethanol; water at 110℃; under 30003 Torr; for 24h; Autoclave;

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (100%): May cause respiratory irritation Precautionary Statement CodesP261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationClass 6.1; Packaging Group: II; UN Number: 2671HS CodeStoragePreserve in tight containers， Store at a temperature - 20土5℃Shelf Life2 years

DruglikenessLipinski rules componentMolecular Weight229.303logP-0.918HBA4HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)107.61Rotatable Bond (RotB)4Matching Veber Rules2

Quantitative Results1 of 72Comment (Pharmacological Data)Bioactivities presentReferenceCurrent Patent Assignee: OXIS INTERNATIONAL INC - WO2003/99277, 2003, A12 of 72Comment (Pharmacological Data)Bioactivities presentReferenceFunctional effects of protein sequence polymorphisms in the organic cation/ergothioneine transporter OCTN1 (SLC22A4)3 of 72Comment (Pharmacological Data)Bioactivities present Reference Isolation and determination of histidine and related compounds

Use PatternL-(+)-Ergothioneine CAS#: 497-30-3 is a rare natural chiral amino acid, which has unique cell functions such as scavenging free radicals, detoxification, maintaining DNA biosynthesis, normal cell growth, cellular immunity, anti-radiation, whitening and anti-aging. Physiological protection function. Ergothioneine has broad application prospects in industries such as food, cosmetics, functional food and bio-medicine, and was included in the EU's new resource food list in 2018.
https://www.chemwhat.com/l-ergothioneine-cas-497-30-3-2/

Comments

Post a Comment

Popular posts from this blog

Watson's PDHP CAS 34562-31-7 The Secret to Light Yellow Liquid Appearance

In the competitive world of chemical manufacturing, maintaining consistency and meeting precise specifications are essential for success. One compound that highlights these principles is 3,5-Diethyl-1,2-dihydro-1-phenyl-2-propylpyridine, commonly known as PDHP, with the CAS number 34562-31-7. PDHP is a versatile compound utilized in various industrial applications, including rubber additives and catalytic processes. Among its many attributes, Watson’s ability to consistently produce PDHP as a light yellow liquid stands out, especially in industries where the appearance of the final product is crucial. PDHP serves a vital role in several industrial sectors. In the rubber industry, it functions as an additive that enhances the durability and longevity of rubber products. PDHP’s properties help improve the stability of rubber, making it more resistant to environmental wear and tear. Additionally, in catalysis, PDHP’s structure allows it to act as an effective ligand or catalyst precurso...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Namemethylammonium iodideIUPAC Namemethylazanium;iodide Molecular StructureCAS Registry Number 14965-49-2MDL NumberMFCD28100833SynonymsMethylammonium iodide14965-49-2methylazanium;iodideEINECS 239-037-4methylazanium iodideMethanamine, hydriodideMethyl ammonium iodideMethylamine.hydriodicacidSCHEMBL1534750Methylammonium Iodide, anhydrousDB-221235NS00086090Molecular FormulaCH6INMolecular Weight158.97InChIInChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1HInChI KeyLLWRXQXPJMPHLR-UHFFFAOYSA-N  Canonical SMILESC. Patent InformationPatent IDTitlePublication DateWO2023/180219A METHOD FOR SYNTHESIS OF HALIDE SALTS2023CN113845428Preparation method of perovskite material powder2021WO2018/169373METHOD OF PREPARING LUMINESCENT NANO-SHEET, LUMINESCENT NANO-SHEET MATERIAL, LUMINESCENT NANO-SHEET FILM, BACK LIGHT, AND LIQUID CRYSTAL DISPLAY APPARATUS2018WO2015/32748AMORPHOUS MATERIAL AND THE USE THEREOF2018 ...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameNickel HydroxideIUPAC Namenickel;dihydrate Molecular StructureCAS Registry Number 12054-48-7EINECS Number235-008-5MDL NumberMFCD00011140Beilstein Registry NumberSynonyms12054-48-7AKOS015903693CS-0089243dihydroxynickelEC 235-008-5EINECS 235-008-5HSDB 1827LS-96321MFCD00011140Nickel dihydroxideNickel hydroxide (II)Nickel hydroxide (Ni(OH)2)Nickel hydroxide (ous)Nickel Hydroxide nanowireNickel(2+) hydroxidenickel(II) dihydroxideNickel(II) hydroxide, for analysisnickel;dihydrateNickelous hydroxideUNII-L8UW92NW6JMolecular FormulaH4NiO2Molecular Weight94.724 InChIInChI=1S/Ni.2H2O/h;2*1H2 InChI KeyAIBQNUOBCRIENU-UHFFFAOYSA-N  Canonical SMILESO.O.   Physical Data AppearanceGreen powder Spectra Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °CBandssolid matrix-258 Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spec...
Post a Comment
Read more