AC1MHYY8
1-(2-hydroxyethyl)-1-methylguanidine;(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 de creatinol|Tetrahydroalstonate de creatinol [French]|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with N-(2-hydroxyethyl)-N-methylguqnidine (1:1)|19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--N-(2-hydroxyethyl)-N-methylguanidine (1/1)|OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH N-(2-HYDROXYETHYL)-N-METHYLGUQNIDINE (1:1)
| Molecular Formula | C24H33N5O4 |
|---|---|
| Molecular Weight | 455.25327 g/mol |
| LogP | 1.89437 |
| Topological Polar Surface Area | 138.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.25327 |
| Monoisotopic Mass | 455.25327 |
| Heavy Atoms | 33 |
| Complexity | 1064.3019 |
Chemical Identifiers
| CAS Number | 77754-97-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.CN(CCO)C(=N)N |
Product Overview
AC1MHYY8 (CAS 77754-97-3), with molecular formula C24H33N5O4 and molecular weight 455.25327 g/mol. IUPAC: 1-(2-hydroxyethyl)-1-methylguanidine;(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.