AC1MHYY5
2-aminoethanol;(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'aminoethanol|Tetrahydroalstonate d'aminoethanol [French]|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 2-aminoethanol (1:1)|19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--2-aminoethan-1-ol (1/1)|OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH 2-AMINOETHANOL (1:1)
| Molecular Formula | C22H29N3O4 |
|---|---|
| Molecular Weight | 399.21582 g/mol |
| LogP | 2.0278 |
| Topological Polar Surface Area | 111.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.21582 |
| Monoisotopic Mass | 399.21582 |
| Heavy Atoms | 29 |
| Complexity | 919.91815 |
Chemical Identifiers
| CAS Number | 77754-96-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C(CO)N |
Product Overview
AC1MHYY5 (CAS 77754-96-2), with molecular formula C22H29N3O4 and molecular weight 399.21582 g/mol. IUPAC: 2-aminoethanol;(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.