chempirical

Epirubicin hydrochloride

C27H30ClNO11CAS 56390-09-1579.98 g/mol

Open in Covalent MOL file
OOOHHOOOHOOHONH2OHOHCl
AcetalAlcoholEtherKetonePhenolPrimary amine

Properties

Molecular formula
C27H30ClNO11
Molar mass
579.98 g/mol
Exact mass
579.1507 Da
Melting point
185 °C (decomposes)
logP
0.42Crippen estimate
Polar surface area
206.1 Ų
H-bond donors / acceptors
6 / 12
Rotatable bonds
5
Stereocentres
S, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
56390-09-1
SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl
InChIKey
MWWSFMDVAYGXBV-FGBSZODSSA-N
InChI
InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), (8S,10S)-
  • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-
  • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-
  • 4′-Epi-Adriamycin hydrochloride
  • 4′-Epidoxorubicin hydrochloride
  • Farmorubicin
  • Pharmorubicin
  • Epidoxorubicin hydrochloride
  • Ellence

Work with Epirubicin hydrochloride

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

Doxorubicin23214-92-896 % similar Epirubicin56420-45-296 % similar Daunorubicin hydrochloride23541-50-684 % similar Daunorubicin20830-81-381 % similar Pirarubicin72496-41-474 % similar Nemorubicin108852-90-071 % similar Idarubicin hydrochloride57852-57-069 % similar Idarubicin58957-92-966 % similar

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

Same formula

Doxorubicin hydrochloride25316-40-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook