Cas no 66834-83-1 (Thalflavidine)
Thalflavidine structure
Product Name:Thalflavidine
CAS No:66834-83-1
MF:C22H21NO6
MW:395.405246496201
CID:1712642
PubChem ID:181848
Update Time:2024-03-01
Thalflavidine Chemical and Physical Properties
Names and Identifiers
-
- 3-[2-(dimethylamino)ethyl]-1,2-dimethoxy-10H-[1,3]dioxolo[6,7]naphtho[8,1,2-cde]chromen-10-one
- AC1L49SW
- Thalflavidine
- 10H-(1,3)Dioxolo(6,7)phenanthro(4,5-bcd)pyran-10-one, 3-(2-(dimethylamino)ethyl)-1,2-dimethoxy-
- DTXSID50216957
- 66834-83-1
- 2-Methoxythaliglucinone
-
- Inchi： 1S/C22H21NO6/c1-23(2)8-7-13-12-6-5-11-9-14-19(28-10-27-14)17-15(11)16(12)20(29-22(17)24)21(26-4)18(13)25-3/h5-6,9H,7-8,10H2,1-4H3
- InChI Key： KCEUUUCPDCYSTM-UHFFFAOYSA-N
- SMILES： O1C(C2C3=C(C=C4C=CC5=C(C(=C(C1=C5C4=2)OC)OC)CCN(C)C)OCO3)=O
Computed Properties
- Exact Mass: 395.13688739g/mol
- Monoisotopic Mass: 395.13688739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 628
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- Melting Point: 219-220°C
Thalflavidine Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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