Timoprazole
PubChem CID
72171
Structure
Molecular Formula
Synonyms
- Timoprazole
- 57237-97-5
- Timoprazolum
- Timoprazole [INN]
- Timoprazol
Molecular Weight
257.31 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2024-12-28
Chemical Structure Depiction
2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C13H11N3OS/c17-18(9-10-5-3-4-8-14-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,9H2,(H,15,16)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
HBDKFZNDMVLSHM-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CC=N3
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C13H11N3OS
Computed by PubChem 2.2 (PubChem release 2024.11.20)
57237-97-5
- 2-((2-pyridylmethyl)sulfinyl)benzimidazole
- timoprazole
- Timoprazole
- 57237-97-5
- Timoprazolum
- Timoprazole [INN]
- Timoprazol
- Timoprazol [INN-Spanish]
- Timoprazolum [INN-Latin]
- UNII-95H6S1X9CC
- Timoprazole (INN)
- 2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
- 95H6S1X9CC
- 2-((2-Pyridylmethyl)sulfinyl)benzimidazole
- CHEMBL9861
- Timoprazol (INN-Spanish)
- Timoprazolum (INN-Latin)
- 2-[(2-pyridinylmethyl)sulfinyl]-1h-benzimidazole
- 2-[[(2-pyridinyl)methyl]sulfinyl]benzimidazole
- 2-(2-pyridinylmethyl)sulfinyl]-1H-Benzimidazole,
- SCHEMBL464728
- DTXSID40866622
- pyridylmethylsulfinyl benzimidazole
- HBDKFZNDMVLSHM-UHFFFAOYSA-N
- BDBM50018854
- 2-(2-pyridylmethylsulfinyl)benzimidazole
- 2-[(2-pyridylmethyl)sulphinyl]benzimidazole
- DB-292441
- NS00121827
- D05900
- 2-(2-pyridinylmethyl)sulfinyl]-1H-Benzimidazole
- 2-(Pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
- H 83/69
- SR-01000944992
- SR-01000944992-1
- Q27271790
- 2-(Pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole(timoprazole)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
257.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
1.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
257.06228316 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
257.06228316 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
77.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
313
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
1
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
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Proton Pump Inhibitors
Compounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX. (See all compounds classified as Proton Pump Inhibitors.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HBDKFZNDMVLSHM-UHFFFAOYSA-N
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-((2-Pyridylmethyl)sulfinyl)benzimidazolehttps://comptox.epa.gov/dashboard/DTXSID40866622CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- SpectraBase1H-Benzimidazole, 2-[(2-pyridinylmethyl)sulfinyl]-https://spectrabase.com/spectrum/9RDBGkt2Kdz
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatatimoprazolehttps://www.wikidata.org/wiki/Q27271790
- WikipediaMedical uses of magnesium sulfatehttps://en.wikipedia.org/wiki/Medical_uses_of_magnesium_sulfateTimoprazolehttps://en.wikipedia.org/wiki/Timoprazole
- 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.htmltimoprazolehttps://www.ncbi.nlm.nih.gov/mesh/67038402Proton Pump Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68054328
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388489857https://pubchem.ncbi.nlm.nih.gov/substance/388489857
CONTENTS