AC1MHYYB
1H-imidazole;(1S,15S,16S,20S)-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-carboxylic acid
Also Known As: Tetrahydroalstonate d'imidazole|Tetrahydroalstonate d'imidazole [French]|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 1H-imidazole (1:1)|19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--1H-imidazole (1/1)|OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH 1H-IMIDAZOLE (1:1)
| Molecular Formula | C23H26N4O3 |
|---|---|
| Molecular Weight | 406.2005 g/mol |
| LogP | 3.5001 |
| Topological Polar Surface Area | 94.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.2005 |
| Monoisotopic Mass | 406.2005 |
| Heavy Atoms | 30 |
| Complexity | 1054.2875 |
Chemical Identifiers
| CAS Number | 77754-99-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C1=CN=CN1 |
Product Overview
AC1MHYYB (CAS 77754-99-5), with molecular formula C23H26N4O3 and molecular weight 406.2005 g/mol. IUPAC: 1H-imidazole;(1S,15S,16S,20S)-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-carboxylic acid.