RefChem:1071890
3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one;(E)-4,4-dihydroxybut-2-enoic acid
Also Known As: 4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-3-(2-(diethylamino)ethyl)-7,8-dimethoxy-1-methyl-, (Z)-2-butenedioate (1:1)|3-(2-diethylaminoethyl)-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one; (E)-4,4-dihydroxybut-2-enoic acid
CAS: 41148-45-2
| Molecular Formula | C22H33N3O7 |
|---|---|
| Molecular Weight | 451.23184 g/mol |
| LogP | 1.0922 |
| Topological Polar Surface Area | 132.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.23184 |
| Monoisotopic Mass | 451.23184 |
| Heavy Atoms | 32 |
| Complexity | 833.05853 |
Chemical Identifiers
| CAS Number | 41148-45-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)CC2=CC(=C(C=C2C(=N1)C)OC)OC.C(=C/C(=O)O)\C(O)O |
Product Overview
RefChem:1071890 (CAS 41148-45-2), with molecular formula C22H33N3O7 and molecular weight 451.23184 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one;(E)-4,4-dihydroxybut-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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