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
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
ChemSpider
34995137
ChEMBL
CHEMBL2105778
Predicted Properties
PropertyValueSource
Water Solubility0.0583 mg/mLALOGPS
logP2.01ALOGPS
logP2.66Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)8.2Chemaxon
pKa (Strongest Basic)9.49Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area210.23 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity168.48 m3·mol-1Chemaxon
Polarizability65.96 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon