Cefbuperazone

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

Identification

Generic Name
Cefbuperazone
DrugBank Accession Number
DB13638
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 627.65
Monoisotopic: 627.152965898
Chemical Formula
C22H29N9O9S2
Synonyms
  • cefbuperazona
  • Cefbuperazone
External IDs
  • BMY-25182
  • T-1982

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
Not Available

Interactions

Drug Interactions
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
AbacavirCefbuperazone may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe therapeutic efficacy of Abciximab can be decreased when used in combination with Cefbuperazone.
AceclofenacThe risk or severity of nephrotoxicity can be increased when Aceclofenac is combined with Cefbuperazone.
AcemetacinThe risk or severity of nephrotoxicity can be increased when Cefbuperazone is combined with Acemetacin.
AcenocoumarolThe risk or severity of bleeding can be increased when Cefbuperazone is combined with Acenocoumarol.
Food Interactions
Not Available

Categories

ATC Codes
J01DC13 — Cefbuperazone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Peptides
Alternative Parents
Cephamycins / N-acyl-alpha amino acids and derivatives / N-carbamoyl-alpha amino acids and derivatives / Alpha amino acid amides / Piperazine carboxamides / Dioxopiperazines / Alkylarylthioethers / N-acyl ureas / N-alkylpiperazines / 1,3-thiazines
show 19 more
Substituents
1,4-diazinane / Alcohol / Alkylarylthioether / Alpha peptide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Azetidine
show 44 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
T0785J3X40
CAS number
76610-84-9
InChI Key
SMSRCGPDNDCXFR-CYWZMYCQSA-N
InChI
InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1
IUPAC Name
(6R,7S)-7-[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanamido]-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
CCN1CCN(C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@]2(OC)[C@H]3SCC(CSC4=NN=NN4C)=C(N3C2=O)C(O)=O)C(=O)C1=O

References

General References
Not Available
ChemSpider
113142
ChEBI
135856
ChEMBL
CHEMBL1908372
ZINC
ZINC000004215229
Wikipedia
Cefbuperazone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.11 mg/mLALOGPS
logP-1.3ALOGPS
logP-2Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)3.37Chemaxon
pKa (Strongest Basic)-1.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area229.49 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity159.47 m3·mol-1Chemaxon
Polarizability60.39 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-004l-0911027000-587bb1d5674b8215a7b7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0901834000-8d62f89c15a1eff4879d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-016u-1900221000-2ee59c90f7da67e92f4e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900010000-38750830a094d80b0e06
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00vi-0941242000-2cd4934c2ec3a58abf41
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-2901050000-54cb3a87d5f82157cc0e
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-223.3783
predicted
DeepCCS 1.0 (2019)
[M+H]+225.20317
predicted
DeepCCS 1.0 (2019)
[M+Na]+230.93309
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54