Taspine
5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Also Known As: Taspine|Thaspine|Taspin|Leonurine|taspine [M+H]+|NP0702|TN5100|2-dimethylaminoethyl(dimethoxy)[?]dione|1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione|NCI60_031857|NCI60_041671|5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione|(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-|1-[2-(Dimethylamino)ethyl]-3,8-dimethoxy-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione|1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno(5,4,3-cde)chromene-5,10-dione hydrochloride|{1-(2-dimethylaminoethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione}|1-[2-(dimethylamino)ethyl]-3,8-dimethoxy-1-(2-oxoethyl)[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12125 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.12125 |
| Monoisotopic Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 24697-74-3 |
|---|---|
| SMILES | CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC |
| InChIKey | MTAWKURMWOXCEO-UHFFFAOYSA-N |
Product Overview
Taspine (CAS 24697-74-3), with molecular formula C20H19NO6 and molecular weight 369.12125 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione.
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