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Palmatine Chloride

PubChem CID: 73442

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Compound Synonyms Palmatine chloride, 10605-02-4, Palmatine hydrochloride, Palmatine (chloride), Fibrauretin, ZJ6W8881Z8, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride, MFCD00016656, NSC 209407, NSC-209407, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium, chloride, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chloride, Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, PALMATINE CHLORIDE [USP-RS], PALMATINE CHLORIDE [WHO-DD], NSC209407, GNF-PF-4086, Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, PALMATINE CHLORIDE (USP-RS), 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium Chloride, berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, chloride, CHEMBL274189, dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride (1:1), UNII-ZJ6W8881Z8, SR-01000841226, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium, chloride, Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride (1:1), Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, chloride (8CI), Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride (9CI), Palmatine chloride (6CI,7CI), Fibrauretin, Prestwick_374, PALMATINECHLORIDE, Palmatine Hydrochloride,(S), MLS002153886, SCHEMBL754702, SPECTRUM1500872, HY-N0110R, Palmatine (chloride) (Standard), DTXSID40909881, RLQYRXCUPVKSAW-UHFFFAOYSA-M, HMS1569D20, HMS1921M10, HMS2096D20, HMS2234K10, HMS3374O05, HMS3651D03, HMS3884P15, BCP02274, HY-N0110, AC-678, CCG-38528, s2397, Palmatine chloride, >=98% (HPLC), AKOS015903832, BCP9001048, CS-5237, FP73849, NCGC00094871-01, NCGC00094871-02, AS-72876, DA-66457, SMR001233237, P2138, SW196633-2, SR-01000841226-4, Q27295608, 3,4,10,11-TETRAMETHOXY-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM CHLORIDE, 830-625-1
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.8
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CC3C(CCC4CCCCC43)CC2C1
Np Classifier Class Protoberberine alkaloids, Isoquinoline alkaloids
Deep Smiles COcccCC[n+]c-c6cc%10OC)))))cccc6)cOC))ccc6))OC.[Cl-]
Heavy Atom Count 27.0
Classyfire Class Protoberberine alkaloids and derivatives
Scaffold Graph Node Level C1CCC2CN3CCC4CCCCC4C3CC2C1
Isotope Atom Count 0.0
Molecular Complexity 475.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08684, P63000, P60953, B2RXH2, P10636, P28482, O97447, P00811, Q9UIF8, n.a., P39748, O89049, P03372, P83512, O75496, O42275, P81908, Q9NUW8, Q13148, P43351, Q9Y6L6, Q9NPD5, P63092, P0DTD1
Iupac Name 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium, chloride
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Target Id NPT109, NPT48, NPT51, NPT282, NPT1274
Gsk 4 400 Rule True
Molecular Formula C21H22ClNO4
Scaffold Graph Node Bond Level c1ccc2c(c1)CC[n+]1cc3ccccc3cc1-2
Prediction Swissadme 1.0
Inchi Key RLQYRXCUPVKSAW-UHFFFAOYSA-M
Silicos It Class Poorly soluble
Fcsp3 0.2857142857142857
Logs -5.366
Rotatable Bond Count 4.0
Logd 3.562
Synonyms palmatine chloride
Esol Class Moderately soluble
Functional Groups [Cl-], cOC, c[n+](c)C
Compound Name Palmatine Chloride
Prediction Hob Swissadme 1.0
Exact Mass 387.124
Formal Charge 0.0
Monoisotopic Mass 387.124
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 387.9
Gi Absorption True
Covalent Unit Count 2.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -5.285769118518519
Inchi InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4, /h5-6,9-12H,7-8H2,1-4H3, 1H/q+1, /p-1
Smiles COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[Cl-]
Nring 4.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tyrosine alkaloids