Ibuprofen arginine
PubChem CID
9864669
Structure
Molecular Formula
Synonyms
- 57469-82-6
- ibuprofen arginine
- (S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1)
- Ibuprofen L-arginine
- (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular Weight
380.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2006-10-25
- Modify:2025-01-04
Description
IBUPROFEN ARGININE is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H18O2.C6H14N4O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GCCOJNYCFNSJII-VWMHFEHESA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H32N4O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2-(4-isobutylphenyl)propanoic acid - L-arginine (1:1)
- ibuprofen arginate
- ibuprofen arginine
- R-ibuprofen-Arg
- Spedifen
- 57469-82-6
- ibuprofen arginine
- (S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1)
- Ibuprofen L-arginine
- (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
- L-Arginine, alpha-Methyl-4-(2-Methylpropyl)benzeneacetate
- MFCD23701748
- Zafen (TN)
- Ibuprofen arginine salt
- SCHEMBL43030
- CHEMBL4594450
- DTXSID30432072
- AKOS016012259
- AS-10612
- D08058
- G79258
- Q27294011
- (S)-2-Amino-5-guanidinopentanoicacidcompoundwith2-(4-isobutylphenyl)propanoicacid(1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
380.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
380.24235551 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
380.24235551 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
165Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
379
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Gene Count
Analgesics, Non-Narcotic
A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS. (See all compounds classified as Analgesics, Non-Narcotic.)
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Ibuprofen argininehttps://commonchemistry.cas.org/detail?cas_rn=57469-82-6
- EPA DSSTox(S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1)https://comptox.epa.gov/dashboard/DTXSID30432072CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.kegTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licenceIBUPROFEN ARGININEhttps://platform.opentargets.org/drug/CHEMBL4594450
- Wikidataibuprofen argininehttps://www.wikidata.org/wiki/Q27294011
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlibuprofen argininehttps://www.ncbi.nlm.nih.gov/mesh/67106674Analgesics, Non-Narcotichttps://www.ncbi.nlm.nih.gov/mesh/68018712
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS