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N-[(E)-[1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-3,4-dichlorobenzamide;hydrochloride

HCID 54598546
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
66996-55-2
Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)c1ccc(Cl)c(Cl)c1)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl
InChIKey
DFODJOCFAAIAJF-YYFOJOLUSA-N
Molecular formula
C34H34Cl3N3O11
Average molar mass
767 g/mol
Monoisotopic mass
765.125892

Names & identifiers

Preferred name
N-[(E)-[1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-3,4-dichlorobenzamide;hydrochloride
IUPAC
N-[(E)-[1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-3,4-dichlorobenzamide;hydrochloride

Names & synonyms

66996-55-2NSC237672NSC-237672Benzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazideBenzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide, monohydrochloride, (2S-cis)-

Database identifiers

CAS
66996-55-2
PubChem CID
54598546

Properties

Computed structural properties

Topological polar surface area
230 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
51
Formal charge
0
Complexity
1,330

Related reactions

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Compound notes

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