Zorubicin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Zorubicin
Accession Number
DB11618
Type
Small Molecule
Groups
Experimental
Description

Zorubicin is an anthracycline.

Structure
Thumb
Synonyms
  • Benzoic acid hydrazide, 3-hydrazone with daunorubicin
Product Ingredients
IngredientUNIICASInChI Key
Zorubicin hydrochlorideWXM8D9M6DE36508-71-1NKFHKYQGZDAKMX-QMFNWPJUSA-N
Categories
UNII
V25F9362OP
CAS number
54083-22-6
Weight
Average: 645.665
Monoisotopic: 645.232244339
Chemical Formula
C34H35N3O10
InChI Key
FBTUMDXHSRTGRV-BJISBDEGSA-N
InChI
InChI=1S/C34H35N3O10/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)/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}benzenecarbohydrazonic acid
SMILES
[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=C(C=CC=C2OC)C4=O)C(C)=NN=C(O)C2=CC=CC=C2)O[C@@]([H])(C)[C@@]1([H])O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Zorubicin.
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Zorubicin.
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Zorubicin.
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Zorubicin.
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Zorubicin.
CymarinCymarin may decrease the cardiotoxic activities of Zorubicin.
DeslanosideDeslanoside may decrease the cardiotoxic activities of Zorubicin.
DigitoxinDigitoxin may decrease the cardiotoxic activities of Zorubicin.
DigoxinDigoxin may decrease the cardiotoxic activities of Zorubicin.
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Zorubicin.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9595290
PubChem Substance
347828011
ChemSpider
28534101
ChEBI
135863
ChEMBL
CHEMBL1697854
Wikipedia
Zorubicin
ATC Codes
L01DB05 — Zorubicin

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0525 mg/mLALOGPS
logP1.94ALOGPS
logP2.17ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)7.22ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area213.72 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity169.01 m3·mol-1ChemAxon
Polarizability67.04 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Anthracyclines
Sub Class
Not Available
Direct Parent
Anthracyclines
Alternative Parents
Tetracenequinones / Aminoglycosides / Anthraquinones / Hexoses / O-glycosyl compounds / Tetralins / Benzoic acids and derivatives / Anisoles / Aryl ketones / Benzoyl derivatives
show 15 more
Substituents
Anthracycline / Anthracyclinone-skeleton / Aminoglycoside core / Tetracenequinone / 9,10-anthraquinone / 1,4-anthraquinone / Anthracene / Hexose monosaccharide / Glycosyl compound / O-glycosyl compound
show 36 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on August 25, 2016 21:55 / Updated on August 02, 2018 06:27