Nantenine
(12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
Also Known As: Nantenine|Domestine|Nantenin|O-Methyldomesticine|Nantenie|(+)-Domestine|(+)-Nantenine|Domesticine, O-methyl-|O-methyl-domesticine|NANTEINE|(+)-Domestine (Nantenine)|DOMESTICINE METHYL ETHER|HY-N9141|NP0705|TN4624|DOMESTICINE METHYL ETHER [MI]|(12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene|(6aS)-5,6,6a,7-Tetrahydro-1,2-dimethoxy-6-methyl-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline|6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-|6a.alpha.-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-|4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (6aS)-|(12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,16,18-hexaene|(12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene|(6aS)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.14706 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Monoisotopic Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 2565-01-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)OC |
| InChIKey | WSVWKHTVFGTTKJ-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nantenine (CAS 2565-01-7), with molecular formula C20H21NO4 and molecular weight 339.14706 g/mol. IUPAC: (12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.
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