NAV

Zorubicin

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

Identification

Generic Name
Zorubicin
DrugBank Accession Number
DB11618
Background

Zorubicin is a drug of the anthracycline class - a class of medications that have historically demonstrated effective chemotherapy for a variety of cancer types.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 645.665
Monoisotopic: 645.232244339
Chemical Formula
C34H35N3O10
Synonyms
  • Benzoic acid hydrazide, 3-hydrazone with daunorubicin
  • Zorubicin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Zorubicin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Zorubicin is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Zorubicin is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Zorubicin is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Zorubicin is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Zorubicin hydrochlorideWXM8D9M6DE36508-71-1NKFHKYQGZDAKMX-QMFNWPJUSA-N

Categories

ATC Codes
L01DB05 — Zorubicin
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,2-aminoalcohol / 1,4-anthraquinone / 9,10-anthraquinone / Acetal / Alcohol / Aldehyde / Alkyl aryl ether / Amine / Amino acid or derivatives / Amino saccharide
show 36 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V25F9362OP
CAS number
54083-22-6
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}benzohydrazide
SMILES
[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

References

General References
Not Available
PubChem Compound
9595290
PubChem Substance
347828011
ChemSpider
28534101
ChEBI
135863
ChEMBL
CHEMBL1697854
ZINC
ZINC000299888314
Wikipedia
Zorubicin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.0583 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
Polarizability65.84 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/MSsplash10-000t-0607945000-dec3b7dc417c5d6c3112
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-0000922000-61134a20737ab1154e85
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0564-1803933000-5350d785a29204fde9b8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4205944000-71c42898b3c5e32efd79
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06u2-2900001000-86fdda113c807c2d0f5e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9308424000-0de69db5e56551df483a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-232.12218
predicted
DeepCCS 1.0 (2019)
[M+H]+234.1041
predicted
DeepCCS 1.0 (2019)
[M+Na]+240.0177
predicted
DeepCCS 1.0 (2019)

Drug created at August 26, 2016 03:55 / Updated at February 21, 2021 18:53