Amrubicin hydrochlorideProduct ingredient for Amrubicin
- Name
- Amrubicin hydrochloride
- Drug Entry
- Amrubicin
Amrubicin is a third-generation synthetic anthracycline currently in development for the treatment of small cell lung cancer. Pharmion licensed the rights to Amrubicin in November 2006. In 2002, Amrubicin was approved and launched for sale in Japan based on Phase 2 efficacy data in both SCLC and NSCLC. Since January 2005, Amrubicin has been marketed by Nippon Kayaku, a Japanese pharmaceutical firm focused on oncology, which licensed Japanese marketing rights from Dainippon Sumitomo, the original developer of Amrubicin 13,15.
- Accession Number
- DBSALT001934
- Structure
Structure for Amrubicin hydrochloride (DBSALT001934)
- Synonyms
- Calsed
- External IDs
- SM 5887 / SM-5887
- UNII
- EUL6MP8FZW
- CAS Number
- 110311-30-3
- Weight
- Average: 519.93
Monoisotopic: 519.1296091 - Chemical Formula
- C25H26ClNO9
- InChI Key
- BHMLHEQFWVQAJS-IITOGVPQSA-N
- InChI
- InChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17-,25-;/m0./s1
- IUPAC Name
- (7S,9S)-9-acetyl-9-amino-7-{[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy}-6,11-dihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
- SMILES
- Cl.[H][C@@]1(C[C@H](O)[C@H](O)CO1)O[C@H]1C[C@@](N)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O
- External Links
- ChemSpider
- 102849
- ChEMBL
- CHEMBL481958
- Predicted Properties
Property Value Source Water Solubility 1.14 mg/mL ALOGPS logP 1.4 ALOGPS logP 1.74 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 8.1 Chemaxon pKa (Strongest Basic) 7.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 176.61 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 122.01 m3·mol-1 Chemaxon Polarizability 49.03 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon