Theophylline Sodium Glycinate
PubChem CID
23663537
Structure
Molecular Formula
Synonyms
- THEOPHYLLINE SODIUM GLYCINATE
- 8000-10-0
- Sodium theophylline glycinate
- Pemophyllin
- Asbron
Molecular Weight
277.21 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2008-02-05
- Modify:2025-01-18
Description
THEOPHYLLINE SODIUM GLYCINATE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1982.
A methyl xanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Theophylline inhibits the 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE that degrades CYCLIC AMP thus potentiates the actions of agents that act through ADENYLYL CYCLASES and cyclic AMP.
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
sodium;2-aminoacetate;1,3-dimethyl-7H-purine-2,6-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C7H8N4O2.C2H5NO2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2(4)5;/h3H,1-2H3,(H,8,9);1,3H2,(H,4,5);/q;;+1/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AIJQWRAOMFRHTQ-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(C(=O)[O-])N.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H12N5NaO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
8000-10-0
10092-68-9
- 1,3 Dimethylxanthine
- 1,3-Dimethylxanthine
- 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
- Accurbron
- Aerobin
- Aerolate
- Afonilum Retard
- Anhydrous, Theophylline
- Aquaphyllin
- Armophylline
- Bronchoparat
- Bronkodyl
- Constant T
- Constant-T
- ConstantT
- ct, theo von
- Elixophyllin
- Euphylong
- Glycinate, Theophylline Sodium
- Glycine Theophyllinate
- Lodrane
- Monospan
- Nuelin
- Nuelin S.A.
- Quibron T SR
- Quibron T-SR
- Quibron TSR
- Slo Phyllin
- Slo-Phyllin
- SloPhyllin
- Sodium Glycinate, Theophylline
- Somophyllin T
- Somophyllin-T
- SomophyllinT
- Sustaire
- Synophylate
- Theo 24
- Theo Dur
- theo von ct
- Theo-24
- Theo-Dur
- Theo24
- Theobid
- Theocin
- Theoconfin Continuous
- Theodur
- Theolair
- Theolix
- Theon
- Theonite
- Theopek
- Theophyllinate, Glycine
- Theophylline
- Theophylline Anhydrous
- Theophylline Sodium Glycinate
- Theospan
- Theostat
- Theovent
- Uniphyl
- Uniphyllin
- Uniphylline
- von ct, theo
- THEOPHYLLINE SODIUM GLYCINATE
- 8000-10-0
- Sodium theophylline glycinate
- Pemophyllin
- Asbron
- Glytheonate
- Panophylline
- Englate
- Theonate sodium
- Glycin theophyllinate
- Bronchoparat
- UNII-2S36N8T753
- sodium;2-aminoacetate;1,3-dimethyl-7H-purine-2,6-dione
- 2S36N8T753
- Theophylline sodium glycinate (USP)
- Theophylline sodium glycinate [USP]
- Glycine, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, monosodium salt
- THEOPHYLLINE SODIUM AMINOACETATE
- 10092-68-9
- Bronchoparat; Englate; Glycin theophyllinate; Glytheonate; Panophylline; Pemophyllin
- THEOPHYLLINE SODIUM GLYCINATE (USP MONOGRAPH)
- THEOPHYLLINE SODIUM GLYCINATE [USP MONOGRAPH]
- Asbron (TN)
- SCHEMBL122089
- Glycinate, Theophylline Sodium
- Sodium Glycinate, Theophylline
- CHEMBL1200578
- DTXSID60905845
- DA-67675
- THEOPHYLLINE SODIUM GLYCINATE [MI]
- THEOPHYLLINE SODIUM GLYCINATE [VANDF]
- D06104
- THEOPHYLLINE SODIUM AMINOACETATE [WHO-DD]
- THEOPHYLLINE SODIUM GLYCINATE [ORANGE BOOK]
- Q27255528
- Glycine, mixt. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt (1:1)
- Sodium aminoacetate--1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1/1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
277.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
277.07869816 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
277.07869816 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
135 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
314
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Human drug -> Active ingredient (THEOPHYLLINE SODIUM GLYCINATE)
Human drug -> Discontinued
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Gene Count
Bronchodilator Agents
Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)
Phosphodiesterase Inhibitors
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases. (See all compounds classified as Phosphodiesterase Inhibitors.)
Purinergic P1 Receptor Antagonists
Compounds that bind to and block the stimulation of PURINERGIC P1 RECEPTORS. (See all compounds classified as Purinergic P1 Receptor Antagonists.)
Vasodilator Agents
Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)
Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AIJQWRAOMFRHTQ-UHFFFAOYSA-M
- 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
- ChemIDplusTheophylline sodium glycinate [USP]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0008000100Glycine, sodium salt, compd. with theophyllinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0010092689ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSodium aminoacetate--1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1/1/1)https://comptox.epa.gov/dashboard/DTXSID60905845CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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-noticeGlycine, mixt. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt (1:1)https://echa.europa.eu/substance-information/-/substanceinfo/100.130.707
- 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#linkingTHEOPHYLLINE SODIUM GLYCINATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2S36N8T753
- Drugs@FDALICENSEUnless 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#linkingTHEOPHYLLINE SODIUM GLYCINATEhttps://www.accessdata.fda.gov/scripts/cder/daf/
- FDA Orange BookLICENSEUnless 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
- 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/licenceTHEOPHYLLINE SODIUM GLYCINATEhttps://platform.opentargets.org/drug/CHEMBL1200578
- Springer Nature
- Wikidatatheophylline sodium glycinatehttps://www.wikidata.org/wiki/Q27255528
- 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.htmlTheophyllinehttps://www.ncbi.nlm.nih.gov/mesh/68013806Bronchodilator Agentshttps://www.ncbi.nlm.nih.gov/mesh/68001993Phosphodiesterase Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68010726Purinergic P1 Receptor Antagonistshttps://www.ncbi.nlm.nih.gov/mesh/68058915Vasodilator Agentshttps://www.ncbi.nlm.nih.gov/mesh/68014665
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388332131https://pubchem.ncbi.nlm.nih.gov/substance/388332131
CONTENTS