N,N-Diethyldaunorubicin hydrochloride structure

N,N-Diethyldaunorubicin hydrochloride

9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Also Known As: N,N-Diethyldaunorubicin hydrochloride|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(diethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-|9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

CAS: 70844-08-5
Molecular Formula C31H38ClNO10
Molecular Weight 619.21844 g/mol
LogP 2.8338
Topological Polar Surface Area 163.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
Rotatable Bonds 7
Exact Mass 619.21844
Monoisotopic Mass 619.21844
Heavy Atoms 43
Complexity 1040.0

Chemical Identifiers

CAS Number 70844-08-5
SMILES CCN(CC)C1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O.Cl
InChIKey LPEALLLBPHTTEO-UHFFFAOYSA-N

Product Overview

N,N-Diethyldaunorubicin hydrochloride (CAS 70844-08-5), with molecular formula C31H38ClNO10 and molecular weight 619.21844 g/mol. IUPAC: 9-acetyl-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.

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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.
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