AC1L4A7G
4,6-dihydroxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one|5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-9,11-dihydroxy-8-methyl-|4,6-dihydroxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one|2,3,5,10,11,11 a-hexahydro-9,11-dihydroxy-8-methyl-1H-pyrrolo[2,1-C] [1,4]benzodiazepin-5-one|2,3,5,10,11,11a-hexahydro-9,11-dihydroxy-8-methyl-1H-pyrrolo(2,1-C)(1,4)benzodiazepin-5-one|9,11-Dihydroxy-8-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.11609 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.11609 |
| Monoisotopic Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 71444-85-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3CCCC3C(N2)O)O |
| InChIKey | GJSRACHPZCXSPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4A7G (CAS 71444-85-4), with molecular formula C13H16N2O3 and molecular weight 248.11609 g/mol. IUPAC: 4,6-dihydroxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.