AC1MHWBR
N,N-dimethyl-2-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanamine;oxalic acid
Also Known As: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N,N-dimethyl-6-(2-phenylethyl)-, ethanedioate (1:1)|BENZO[B]PYRROLO[3,2,1-JK](1,4)BENZODIAZEPINE-7(6H)-ETHANAMINE,1,2-DIHYDRO-N,N-DIMETHYL-6-(2-PHENYLETHYL)-,ETHANEDIOATE (1:1)|Oxalic acid--N,N-dimethyl-2-[6-(2-phenylethyl)-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl]ethan-1-amine (1/1)
| Molecular Formula | C29H33N3O4 |
|---|---|
| Molecular Weight | 487.2471 g/mol |
| LogP | 4.5919 |
| Topological Polar Surface Area | 84.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.2471 |
| Monoisotopic Mass | 487.2471 |
| Heavy Atoms | 36 |
| Complexity | 1200.151 |
Chemical Identifiers
| CAS Number | 75643-18-4 |
|---|---|
| SMILES | CN(C)CCN1C(C2=CC=CC3=C2N(CC3)C4=CC=CC=C41)CCC5=CC=CC=C5.C(=O)(C(=O)O)O |
Product Overview
AC1MHWBR (CAS 75643-18-4), with molecular formula C29H33N3O4 and molecular weight 487.2471 g/mol. IUPAC: N,N-dimethyl-2-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanamine;oxalic acid.