Tetraphylline
methyl (1S,15R,16S,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Also Known As: Tetraphylline|tetraphyllin|Heterophyllin|Reserpinine|11-Methoxyajmalicine|Methyl (19alpha)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate|16,17-Didehydro-11-methoxy-19alpha-methyl-18-oxayohimban-16-carboxylic acid methyl ester|Methyl 11-methoxy-19alpha-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate|methyl(19|A)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate|methyl (1S,15R,16S,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate|Oxayohimban-16-carboxylic acid, 16,17-didehydro-11-methoxy-19-methyl-, methyl ester, (19alpha)-
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.18927 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18927 |
| Monoisotopic Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 5443-46-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=CC(=C5)OC |
| InChIKey | KXEMQEGRZWUKJS-QIYNHLNTSA-N |
Product Overview
Tetraphylline (CAS 5443-46-9), with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol. IUPAC: methyl (1S,15R,16S,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.
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