Anthramycin 11-methyl ether
(E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Also Known As: Anthramycin 11-methyl ether|Anthramycin methyl ether|(E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide|2-Propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-|(E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[5,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
| Molecular Formula | C17H19N3O4 |
|---|---|
| Molecular Weight | 329.13754 g/mol |
| LogP | 1.23852 |
| Topological Polar Surface Area | 104.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.13754 |
| Monoisotopic Mass | 329.13754 |
| Heavy Atoms | 24 |
| Complexity | 769.3443 |
Chemical Identifiers
| CAS Number | 7683-27-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)/C=C/C(=O)N)O |
Product Overview
Anthramycin 11-methyl ether (CAS 7683-27-4), with molecular formula C17H19N3O4 and molecular weight 329.13754 g/mol. IUPAC: (E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide.
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