Idarubicin hydrochlorideProduct ingredient for Idarubicin
- Name
- Idarubicin hydrochloride
- Drug Entry
- Idarubicin
An orally administered anthracycline antineoplastic. The compound has shown activity against breast cancer, lymphomas and leukemias, together with the potential for reduced cardiac toxicity.
- Accession Number
- DBSALT000341
- Structure
- Synonyms
- Idarubicin HCl / Idarubicin HCl for injection
- UNII
- 5VV3MDU5IE
- CAS Number
- 57852-57-0
- Weight
- Average: 533.955
Monoisotopic: 533.145259206 - Chemical Formula
- C26H28ClNO9
- InChI Key
- JVHPTYWUBOQMBP-RVFAQHLVSA-N
- InChI
- InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
- IUPAC Name
- (7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
- SMILES
- Cl.[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=CC=CC=C2C4=O)C(C)=O)O[C@@]([H])(C)[C@@]1([H])O
- External Links
- PubChem Compound
- 636362
- ChemSpider
- 552161
- ChEBI
- 31686
- ChEMBL
- CHEMBL1200976
- Wikipedia
- Idarubicin
- Predicted Properties
Property Value Source Water Solubility 0.772 mg/mL ALOGPS logP 1.69 ALOGPS logP 1.52 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 8.04 Chemaxon pKa (Strongest Basic) 10.04 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 126.43 m3·mol-1 Chemaxon Polarizability 50.83 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