N-Isopropyldaunorubicin hydrochloride
9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N-Isopropyldaunorubicin HCl|N-Isopropyldaunorubicin hydrochloride|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((1-methylethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-|9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2|9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C30H36ClNO10 |
|---|---|
| Molecular Weight | 605.20276 g/mol |
| LogP | 2.49 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 605.20276 |
| Monoisotopic Mass | 605.20276 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 70844-07-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(C)C)O.Cl |
| InChIKey | IADHBFAQBJCNGN-UHFFFAOYSA-N |
Product Overview
N-Isopropyldaunorubicin hydrochloride (CAS 70844-07-4), with molecular formula C30H36ClNO10 and molecular weight 605.20276 g/mol. IUPAC: 9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.