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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71595
CHEMBL71595
Compound Name HYDROGEN PEROXIDE
ChEMBL Synonyms HYDROGEN PEROXIDE | OXYDOL
Max Phase 4 (Approved)
Trade Names
Molecular Formula H2O2

Additional synonyms for CHEMBL71595 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OO
Standard InChI InChI=1S/H2O2/c1-2/h1-2H
Standard InChI Key MHAJPDPJQMAIIY-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Gene Expression Atlas Compounds
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL71595

Molecule Features

CHEMBL71595 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA1ClinicalTrials
INFECTIOND007239EFO:0000544INFECTION4ATC

Clinical Data

ClinicalTrials.gov HYDROGEN PEROXIDE
The Cochrane Collaboration HYDROGEN PEROXIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
34 34.0055 -0.18 0 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.65 - -.56 -.56 0 2 0.29

Structural Alerts

There are 8 structural alerts for CHEMBL71595. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S02 - OTOLOGICALS
S02A - ANTIINFECTIVES
S02AA - Antiinfectives
S02AA06 - hydrogen peroxide

A - ALIMENTARY TRACT AND METABOLISM
A01 - STOMATOLOGICAL PREPARATIONS
A01A - STOMATOLOGICAL PREPARATIONS
A01AB - Antiinfectives and antiseptics for local oral treatment
A01AB02 - hydrogen peroxide

D - DERMATOLOGICALS
D08 - ANTISEPTICS AND DISINFECTANTS
D08A - ANTISEPTICS AND DISINFECTANTS
D08AX - Other antiseptics and disinfectants
D08AX01 - hydrogen peroxide

ChemSpider ChemSpider:MHAJPDPJQMAIIY-UHFFFAOYSA-N
Wikipedia Hydrogen_peroxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71595



ACToR 7722-84-1 218625-72-0
Atlas hydrogen peroxide Hydrogen Peroxide (H2O2)
Brenda 22 1126
ChEBI 16240
DrugBank DB11091
DrugCentral 3281
eMolecules 484980
EPA CompTox Dashboard DTXSID2020715
FDA SRS BBX060AN9V
Human Metabolome Database HMDB0003125
KEGG Ligand C00027
Metabolights MTBLC16240
MolPort MolPort-003-927-052
PDBe PEO
PubChem 22326046 784
PubChem: Thomson Pharma 15296837
Recon h2o2
Rhea 16240
SureChEMBL SCHEMBL528

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MHAJPDPJQMAIIY-UHFFFAOYSA-N spacer
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