Aricine
methyl (1S,15S,16S,20S)-7-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: Aricine|Heterophylline|Cinchovatine|Aricin|Heterophyllin|Cinchovatin|Quinovatine|(-)-Aricine|3alpha-Aricine|ISORESERPININE|Heterophylline (Rauwolfia)|ARICINE [MI]|10-Methoxytetrahydroalstonine|HY-N8720|methyl methoxy(methyl)[?]carboxylate|NP0311|TN3440|4-methoxy-6-(3-pyridyl)pyran-2-one|FS-9922|4CN-1689|methyl (1S,15S,16S,20S)-7-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|Methyl (4S,4aS,13bS,14aS)-10-methoxy-4-methyl-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate|(20alpha)-16,17-Didehydro-10-methoxy-19alpha-methyl-18-oxayohimban-16-carboxylic acid methyl ester|16,17-didehydro-10-methoxy-19 alpha-methyloxayohimban-16-carboxylic acid|(20alpha)-16,17-Didehydro-10-methoxy-16-(methoxycarbonyl)-19alpha-methyl-18-oxayohimban|(19.ALPHA.,20.ALPHA.)-16,17-DIDEHYDRO-10-METHOXY-19-METHYLOXAYOHIMBAN-16-CARBOXYLIC ACID METHYL ESTER|methyl (1S,15S,16S,20S)-7-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|methyl (1S,15S,16S,20S)-7-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-10-methoxy-19-methyl-, methyl ester, (19.alpha., 20.alpha.)-|Oxayohimban-16-carboxylic acid,17-didehydro-10-methoxy-19-methyl-, methyl ester, (19.alpha.,20.alpha.)-
| 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 | 482-91-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)OC |
| InChIKey | DTDADHMBRZKXSC-GKASHWOUSA-N |
Product Overview
Aricine (CAS 482-91-7), with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol. IUPAC: methyl (1S,15S,16S,20S)-7-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.