AC1MHWBL
2-(dimethylamino)-1-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanone;oxalic acid
Also Known As: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)|Benzo pyrrolo benzodiazepine,1,2,6,7-tetrahydro-7-( -6- -,ethanedioate|BENZO[B]PYRROLO[3,2,1-JK][1,4]BENZODIAZEPINE,1,2,6,7-TETRAHYDRO-7-((D IMETHYLAMINO)ACETYL)-6-(2-PHENYLETHYL)-,ETHANEDIOATE (1:1)|Oxalic acid--2-(dimethylamino)-1-[6-(2-phenylethyl)-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl]ethan-1-one (1/1)
| Molecular Formula | C29H31N3O5 |
|---|---|
| Molecular Weight | 501.22638 g/mol |
| LogP | 4.1185 |
| Topological Polar Surface Area | 101.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.22638 |
| Monoisotopic Mass | 501.22638 |
| Heavy Atoms | 37 |
| Complexity | 1279.7095 |
Chemical Identifiers
| CAS Number | 75643-16-2 |
|---|---|
| SMILES | CN(C)CC(=O)N1C(C2=CC=CC3=C2N(CC3)C4=CC=CC=C41)CCC5=CC=CC=C5.C(=O)(C(=O)O)O |
Product Overview
AC1MHWBL (CAS 75643-16-2), with molecular formula C29H31N3O5 and molecular weight 501.22638 g/mol. IUPAC: 2-(dimethylamino)-1-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanone;oxalic acid.