Naltrexonazine
3-(cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Naltrexonazine|NCI60_004862|3-(Cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol|6,6'-Hydrazinediylidenebis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]
| Molecular Formula | C40H46N4O6 |
|---|---|
| Molecular Weight | 678.34174 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 678.34174 |
| Monoisotopic Mass | 678.34174 |
| Heavy Atoms | 50 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 82823-99-2 |
|---|---|
| SMILES | C1CC1CN2CCC34C5C(=NN=C6CCC7(C8CC9=C1C7(C6OC1=C(C=C9)O)CCN8CC1CC1)O)CCC3(C2CC1=C4C(=C(C=C1)O)O5)O |
| InChIKey | GSYDZKZBXPTRGD-UHFFFAOYSA-N |
Product Overview
Naltrexonazine (CAS 82823-99-2), with molecular formula C40H46N4O6 and molecular weight 678.34174 g/mol. IUPAC: 3-(cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol.
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