9-Acetyl-9-amino-6,7,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C₂₀H₁₇NO₆CAS 92395-41-0367.36 g/mol

Open in Covalent MOL file

Alcohol Ketone Phenol Primary amine

Properties

Molecular formula: C₂₀H₁₇NO₆
Molar mass: 367.36 g/mol
Exact mass: 367.1056 Da
logP: 1.14Crippen estimate
Polar surface area: 137.9 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

92395-41-0

SMILES

CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O)N

InChIKey

FWKJDERNQBOCTI-UHFFFAOYSA-N

InChI

InChI=1S/C20H17NO6/c1-8(22)20(21)6-11-13(12(23)7-20)19(27)15-14(18(11)26)16(24)9-4-2-3-5-10(9)17(15)25/h2-5,12,23,26-27H,6-7,21H2,1H3

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Names and synonyms

1 names

(7S,9S)-9-Acetyl-9-amino-7,8,9,10-tetrahydro-6,7,11-trihydroxy-5,12-naphthacenedione

Work with 9-Acetyl-9-amino-6,7,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(7S,9S)9-Acetyl-7,8,9,10-tetrahydro-6,7,9,11-tetrahydroxy-5,12-naphtacenedione60660-75-571 % similar Amrubicin110267-81-763 % similar Idarubicin58957-92-946 % similar Idarubicin hydrochloride57852-57-044 % similar Lucidin478-08-038 % similar Daunorubicin20830-81-338 % similar Daunorubicin hydrochloride23541-50-636 % similar Purpurin anthraquinone81-54-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bicuculline485-49-4

Elsewhere

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