Cas no 68005-98-1 (Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI))
![Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI) structure](https://ossimg.kuujia.com/scimg/68500/68005-98-1x500.png)
68005-98-1 structure
Product Name:Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI)
CAS No:68005-98-1
MF:C20H26ClNO8
MW:443.87534570694
CID:521873
PubChem ID:155071
Update Time:2025-04-19
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI)
- 9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride--water (1/1/4)
- 68005-98-1
- DTXSID60987429
- Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate
- Berberine Chloride tetrahydrate
-
- Inchi： 1S/C20H18NO4.ClH.4H2O/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;4*1H2/q+1;;;;;/p-1
- InChI Key： LDUJEOSMVBDXMS-UHFFFAOYSA-M
- SMILES： [Cl-].O1COC2C1=CC1=C(C=2)C2C=C3C=CC(=C(C3=C[N+]=2CC1)OC)OC.O.O.O.O
Computed Properties
- Exact Mass: 443.1346945g/mol
- Monoisotopic Mass: 443.1346945g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 2
- Complexity: 488
- Covalently-Bonded Unit Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.8?2
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate (9CI) Related Literature
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
Recommended suppliers
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海嶸奧生物技術有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
