N,N-Diethyldaunorubicin hydrochloride
Basic information
- CAS
70844-08-5- Standard SMILES
CCN(CC)C1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O.Cl- InChIKey
LPEALLLBPHTTEO-UHFFFAOYSA-N- Molecular formula
- C31H38ClNO10
- Average molar mass
- 620.1 g/mol
- Monoisotopic mass
- 619.2184241
Names & identifiers
- Preferred name
- N,N-Diethyldaunorubicin hydrochloride
- 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
Names & synonyms
N,N-Diethyldaunorubicin hydrochloride5,12-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)-NSC 265205
Database identifiers
- CAS
70844-08-5- PubChem CID
- 153273
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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