Berberine Chloride
PubChem CID: 12456
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| Compound Synonyms | berberine chloride, Berberine hydrochloride, 633-65-8, Berberinium chloride, Benzodioxide, Berberine (chloride), Berberine HCl, Natural Yellow 18, Berberinum, Berberine chloride [JAN], Berberine chloride form, NSC-163088, UNII-UOT4O1BYV8, UOT4O1BYV8, EINECS 211-195-9, NSC 163088, NSC-646666, CCRIS 8656, DTXSID8024602, AI3-61834, 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride, BERBERINUM [HPUS], MFCD00011939, NSC 646666, Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride, MLS002702530, DTXCID404602, Natural Yellow 18 (chloride), CHEBI:31271, GNF-PF-4545, BERBERINE CHLORIDE [USP-RS], NSC163088, 633-65-8 (CHLORIDE), Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, BERBERINE HYDROCHLORIDE [WHO-DD], 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, chloride, BERBERINE CHLORIDE (USP-RS), CHEMBL12089, UNII-266464AEJZ, 5,6-DIHYDRO-9,10-DIMETHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM CHLORIDE, 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, Berberine hydrochloride bihydrate, DTXSID5030820, 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium chloride, SMR001233240, NSC646666, Berberin hydrochloride, SR-01000711827, BERBERINE CHLORIDE DIHYDRATE [MI], NCGC00016526-02, NCGC00016526-07, CAS-633-65-8, Prestwick_91, Berberinum Chloride, 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(13),2,4(8),9,14,16,18,20-octaene, chloride, Umbellatine chloride, dimethoxy[?] chloride, Berbinium, 7,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride, Berberine chloride (TN), Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate, BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 5,6-DIHYDRO-9,10-DIMETHOXY-, CHLORIDE, HYDRATE (1:1:2), Berberine Hydrochloride,(S), MLS002153890, SCHEMBL153906, SPECTRUM1500811, DTXCID3010820, Berberine (chloride) (Standard), HMS500N07, CHEBI: 16118, GLXC-04320, HMS1569F14, HMS1921I18, HMS2096F14, HMS2210A06, HMS2235H16, HMS3336C05, HMS3373L14, HMS3655F20, Pharmakon1600-01500811, Tox21_110474, Tox21_200348, 1ST40203A, AC-118, CCG-39622, HY-18258R, NSC757795, s2271, AKOS007930622, Tox21_110474_1, CS-3214, FB64955, KS-5294, NSC-757795, 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate, NCGC00091896-01, NCGC00094858-01, NCGC00094858-02, NCGC00257902-01, HY-18258, SY076593, CAS: 638-65-8, B0450, SW196403-2, EN300-116212, Berberine chloride hydrate, technical, >=90% (AT), SR-01000711827-4, SR-01000711827-6, Z1494829513, Berberine chloride, primary pharmaceutical reference standard, Berberine chloride, British Pharmacopoeia (BP) Reference Standard, Berberine chloride, European Pharmacopoeia (EP) Reference Standard, Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, Berberine chloride, United States Pharmacopeia (USP) Reference Standard, Berberine Chloride, Pharmaceutical Secondary Standard, Certified Reference Material, Berbinium,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride, 16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15(20),16,18-octaen-13-ylium chloride, 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride, Berberine hydrochloride, 7,8,13,13a-Tetradehydro-9,1 0-dimethoxy-2,3-(methylenedioxy)berbinium chloride, 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-iumchloride, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1) |
|---|---|
| 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(CCC4CC5CCCC5CC43)CC2C1 |
| Np Classifier Class | Protoberberine alkaloids, Isoquinoline alkaloids |
| Deep Smiles | COccOC))cccc6c[n+]CCcc-c6c%10))cccc6)OCO5.[Cl-] |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Protoberberine alkaloids and derivatives |
| Scaffold Graph Node Level | C1CCC2CN3CCC4CC5OCOC5CC4C3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, chloride |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H18ClNO4 |
| Scaffold Graph Node Bond Level | c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2 |
| Inchi Key | VKJGBAJNNALVAV-UHFFFAOYSA-M |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | berberine chloride |
| Esol Class | Moderately soluble |
| Functional Groups | [Cl-], c1cOCO1, cOC, c[n+](c)C |
| Compound Name | Berberine Chloride |
| Exact Mass | 371.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.092 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 371.8 |
| 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 |
| Inchi | InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2, /h3-4,7-10H,5-6,11H2,1-2H3, 1H/q+1, /p-1 |
| Smiles | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Aristata (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Berberis Asiatica (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Berberis Lycium (Plant) Rel Props:Reference:ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Berberis Petiolaris (Plant) Rel Props:Reference:ISBN:9788172360481 - 5. Outgoing r'ship
FOUND_INto/from Fibraurea Tinctoria (Plant) Rel Props:Reference:ISBN:9788172362300