Palmatine chloride monohydrate

Base Information

• Chemical Name: Palmatine chloride monohydrate
• CAS No.: 171869-95-7
• Molecular Formula: C21H22ClNO4.H2O
• Molecular Weight: 405.87
• European Community (EC) Number: 630-670-5
• UNII: ZMR2H7M7PK
• ChEMBL ID: CHEMBL2163795
• DSSTox Substance ID: DTXSID1047869
• Wikidata: Q27295751
• Mol file: 171869-95-7.mol

Synonyms:Palmatine chloride hydrate;171869-95-7;Palmatine chloride monohydrate;UNII-ZMR2H7M7PK;ZMR2H7M7PK;Palmatine (chloride hydrate);CHEMBL2163795;DTXSID1047869;Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, hydrate (1:1:1);Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, monohydrate;2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate;Palmatine hydrochloride hydrate;SCHEMBL3321462;PALMATINE CHLORIDE 95%;DTXCID1027845;Palmatine chloride hydrate, 97%;PIQNSCSNSSZUIT-UHFFFAOYSA-M;Tox21_200059;AKOS015968461;NCGC00248731-01;NCGC00257613-01;CAS-171869-95-7;Q27295751;2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate

Chemical Property of Palmatine chloride monohydrate

Chemical Property:

• Melting Point: 206-207 ºC (dec.)
• Flash Point: 113 ºC
• PSA: 50.03000
• LogP: 0.32450
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 405.1343006
• Heavy Atom Count: 28
• Complexity: 475

Purity/Quality:

98%,99%, ^*data from raw suppliers

PalmatineChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-36/38
• Safety Statements: 24-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.O.[Cl-]
• Uses: Palmatine chloride hydrate (Palmatine) is suitable for use:as alkaloid standard in the method validation for determination of berberine, hydrastine and canadine in goldenseal (Hydrastis canadensis L.) root powderin the preparation of 8-heteroaryl-7,8-dihydroprotoberberinein a study to investigate the FT-Raman and surface-enhanced Raman scattering (SERS) spectra of three related alkaloid dyes, namely palmatine, jatrorrhizine and coptisine