Tiapamil
PubChem CID
42107
Structure
Molecular Formula
Synonyms
- Tiapamil
- 57010-31-8
- Dimeditiapramine
- Tiapamil [INN:BAN]
- Tiapamilum [INN-Latin]
Molecular Weight
555.7 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-24
- Modify:2024-12-28
Description
Tiapamil is a member of benzenes and an organic amino compound.
A phenylethylamine derivative that acts as a calcium antagonist showing hemodynamic effects in patients with acute myocardial infarction.
Chemical Structure Depiction
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]-N-methylpropan-1-amine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ZROUQTNYPCANTN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN(CCCC1(S(=O)(=O)CCCS1(=O)=O)C2=CC(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C26H37NO8S2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
57010-32-9
57010-32-9 (hydrochloride)
- dimeditiapramine
- Dimeditiapramine Hydrochloride
- Hydrochloride, Dimeditiapramine
- Hydrochloride, Tiapamil
- N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)-N-methyl-m-dithian-2-propylamin-1,1,3,3-tetroxide hydrochloride
- Ro 11 1781
- Ro 11-1781
- Ro 111781
- tiapamil
- Tiapamil Hydrochloride
- Tiapamil
- 57010-31-8
- Dimeditiapramine
- Tiapamil [INN:BAN]
- Tiapamilum [INN-Latin]
- Tiapamilo [INN-Spanish]
- Tiapamilo
- Tiapamilum
- Dimeditiapramine (for HCl)
- EINECS 260-510-6
- UNII-0ONY823T4J
- 0ONY823T4J
- TIAPAMIL [INN]
- TIAPAMIL [MART.]
- TIAPAMIL [WHO-DD]
- CHEMBL125737
- N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]-N-methylpropan-1-amine
- CHEBI:35016
- DTXSID10205620
- 1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-, 1,1,3,3-tetraoxide
- 2-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-1,3-Dithiane-2-propanamine 1,1,3,3-tetraoxide
- Tiapamilum (INN-Latin)
- Tiapamilo (INN-Spanish)
- TIAPAMIL (MART.)
- 57010-32-9
- N-(3,4-DIMETHOXYPHENETHYL)-2-(3,4-DIMETHOXYPHENYL)-N-METHYL-M-DITHIANE-2-PROPYLAMINE 1,1,3,3-TETRAOXIDE
- N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]-N-methyl-propan-1-amine
- N-(2-(3,4-dimethoxyphenyl)ethyl)-3-(2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl)-N-methyl-propan-1-amine
- SCHEMBL93936
- DTXCID40128111
- ZROUQTNYPCANTN-UHFFFAOYSA-N
- BDBM50017715
- PDSP1_001082
- PDSP2_001066
- NS00054022
- Q5277228
- [2-(3,4-Dimethoxy-phenyl)-ethyl]-{3-[2-(3,4-dimethoxy-phenyl)-1,1,3,3-tetraoxo-1lambda*6*,3lambda*6*-[1,3]dithian-2-yl]-propyl}-methyl-amine
- [2-(3,4-dimethoxy-phenyl)-ethyl]-{3-[2-(3,4-dimethoxy-phenyl)-1,1,3,3-tetraoxo-1lambda6,3lambda6-[1,3]dithian-2-yl]-propyl}-methyl-amine
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
555.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
555.19605949 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
555.19605949 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
125Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
37
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
880
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
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Calcium Channel Blockers
A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZROUQTNYPCANTN-UHFFFAOYSA-N
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- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice(3,4-dimethoxyphenethyl)[2-(2,3-dimethoxyphenyl)-1,3-dithian-2-yl]propyl]methylammonium chloride 1,1,3,3-tetraoxidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.054.993
- 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
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- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jspTiapamil Hydrochloridehttps://ctdbase.org/detail.go?type=chem&acc=D013976
- Therapeutic Target Database (TTD)
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing
- Japan Chemical Substance Dictionary (Nikkaji)
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- Metabolomics Workbench
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- Springer Nature
- Wikidata
- WikipediaTetrandrinehttps://en.wikipedia.org/wiki/Tetrandrine
- 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.htmlTiapamil Hydrochloridehttps://www.ncbi.nlm.nih.gov/mesh/68013976Calcium Channel Blockershttps://www.ncbi.nlm.nih.gov/mesh/68002121
- PubChem
- 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 388552013https://pubchem.ncbi.nlm.nih.gov/substance/388552013
CONTENTS