Zorubicin hydrochlorideProduct ingredient for Zorubicin
- Name
- Zorubicin hydrochloride
- Drug Entry
- Zorubicin
Zorubicin is a drug of the anthracycline class - a class of medications that have historically demonstrated effective chemotherapy for a variety of cancer types.
- Accession Number
- DBSALT001936
- Structure
Structure for Zorubicin hydrochloride (DBSALT001936)
- Synonyms
- Zorubicin HCl / Zorubicin hydrochloride
- External IDs
- NSC-164011
- UNII
- WXM8D9M6DE
- CAS Number
- 36508-71-1
- Weight
- Average: 682.12
Monoisotopic: 681.2089221 - Chemical Formula
- C34H36ClN3O10
- InChI Key
- NKFHKYQGZDAKMX-QMFNWPJUSA-N
- InChI
- InChI=1S/C34H35N3O10.ClH/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41;/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43);1H/t15-,20-,22-,23-,28+,34-;/m0./s1
- IUPAC Name
- N'-{1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethylidene}benzohydrazide hydrochloride
- SMILES
- Cl.[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=NNC(=O)C1=CC=CC=C1)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
- External Links
- ChemSpider
- 34995137
- ChEMBL
- CHEMBL2105778
- Predicted Properties
Property Value Source Water Solubility 0.0583 mg/mL ALOGPS logP 2.01 ALOGPS logP 2.66 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 8.2 Chemaxon pKa (Strongest Basic) 9.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 210.23 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 168.48 m3·mol-1 Chemaxon Polarizability 65.96 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon