Epirubicin hydrochlorideProduct ingredient for Epirubicin
- Name
- Epirubicin hydrochloride
- Drug Entry
- Epirubicin
An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.
- Accession Number
- DBSALT001168
- Structure
Structure for Epirubicin hydrochloride (DBSALT001168)
- Synonyms
- Epirubicin HCl
- UNII
- 22966TX7J5
- CAS Number
- 56390-09-1
- Weight
- Average: 579.98
Monoisotopic: 579.1507385 - Chemical Formula
- C27H30ClNO11
- InChI Key
- 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
- IUPAC Name
- (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
- SMILES
- Cl.COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C(=O)CO)C(O)=C3C(=O)C2=CC=C1
- External Links
- ChemSpider
- 58827
- ChEMBL
- CHEMBL1200981
- Wikipedia
- Epirubicin
- Predicted Properties
Property Value Source Water Solubility 1.18 mg/mL ALOGPS logP 1.41 ALOGPS logP 0.53 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 8 Chemaxon pKa (Strongest Basic) 9.93 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 206.07 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 134.59 m3·mol-1 Chemaxon Polarizability 53.72 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon