Daunorubicin hydrochlorideProduct ingredient for Daunorubicin
- Name
- Daunorubicin hydrochloride
- Drug Entry
- Daunorubicin
A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of leukemia and other neoplasms.
- Accession Number
- DBSALT000665
- Structure
Structure for Daunorubicin hydrochloride (DBSALT000665)
- Synonyms
- Daunorubicin HCl
- UNII
- UD984I04LZ
- CAS Number
- 23541-50-6
- Weight
- Average: 563.981
Monoisotopic: 563.155823892 - Chemical Formula
- C27H30ClNO10
- InChI Key
- GUGHGUXZJWAIAS-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H
- IUPAC Name
- 8-acetyl-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
- SMILES
- Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
- External Links
- PubChem Compound
- 21864425
- ChemSpider
- 10608333
- Wikipedia
- Daunorubicin
- Predicted Properties
Property Value Source Water Solubility 0.627 mg/mL ALOGPS logP 1.68 ALOGPS logP 1.36 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 8.01 Chemaxon pKa (Strongest Basic) 10.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 185.84 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 132.89 m3·mol-1 Chemaxon Polarizability 54.3 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