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5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-

HCID 153285
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Basic information

CAS
70878-51-2
Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1.Cl
InChIKey
CFPUQMKLKLOWBL-OJWBPHNRSA-N
Molecular formula
C41H42ClNO10
Average molar mass
744.2 g/mol
Monoisotopic mass
743.2497242

Names & identifiers

Preferred name
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-
IUPAC
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dibenzylamino)-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-Dibenzyldaunomycin hydrochloride5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-CHEMBL3248001NSC 268242

Database identifiers

CAS
70878-51-2
PubChem CID
153285
ChEMBL
CHEMBL3248001

Properties

Computed structural properties

Topological polar surface area
163 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
53
Formal charge
0
Complexity
1,260

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Compound notes

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