theophylline

chemical compound

Välised allikad

CAS Registry Number
ZVG number
MeSH descriptor ID
D013806

teema nimetus kujul: Theophylline

Encyclopædia Britannica Online ID
science/theophylline

teema nimetus kujul: theophylline

Treccani ID
teofillina

teema nimetus kujul: teofillina

MeSH concept ID
NSC number
ChEMBL ID
Gran Enciclopèdia Catalana ID
Human Metabolome Database ID
Römpp online ID
MeSH tree code
AICS Chemical ID (BEING DELETED)
ECHA Substance Infocard ID
UM-BBD compound ID
PDB structure ID
DrugCentral ID
CAMEO Chemicals ID
CCDC Number
Probes And Drugs ID
National Library of Israel J9U ID
NDF-RT ID
Freebase
Reaxys registry number
13463[16]
LCCN
sh85134710[17]

teema nimetus kujul: Theophylline

PubChem CID
UniChem compound ID
Quora topic ID
UNII
CSD Refcode
PDB ligand ID
SPLASH
KEGG ID
ATC code
BNCF Thesaurus ID
DSSTox substance ID
GND
OpenAlex ID
DeCS ID
Gran Enciclopèdia Catalana ID (former scheme)
ChemSpider ID
InChIKey
DrugBank ID
MedlinePlus drug identifier
Elhuyar ZTH ID
WikiProjectMed ID
CosIng number
Microsoft Academic ID
SureChEMBL ID
InChI
Guide to Pharmacology Ligand ID
ChEBI ID
28177[3][28]

mapping relation type: täpne vaste

ICSC ID
KNApSAcK ID
UMLS CUI
Store medisinske leksikon ID
teofyllin[29]

teema nimetus kujul: teofyllin

mapping relation type: täpne vaste

DSSTOX compound identifier
AGROVOC ID
EC number
200-385-7[1]
NMRShiftDB structure ID
UNSPSC Code
Gmelin number
51226
MassBank accession ID
NALT ID
WordNet 3.1 Synset ID
04426450-n[30]
RxNorm ID
HSDB ID

üksikjuht nähtusest

type of chemical entity

mille alamklass

xanthines[32]
purine alkaloid
methylxanthine

osa objektist

ambuphylline

kasutus

keemiline struktuur

mass/kaal

180,065 aatommassiühik[33]

chemical formula

C₇H₈N₄O₂[18]

canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2[18]

sulamistemperatuur

268 Celsiuse skaala

found in taxon

Ilex argentina[36]
Ilex brevicuspis[36]
Ilex theezans[36]
Ilex dumosa[36]
Ilex microdonta[36]
Ilex pseudobuxus[36]
Citrus grandis[50]
Amphimedon viridis[51]
Camellia irrawadiensis[38]
Camellia taliensis[38]
Camellia ptilophylla[52]
Theobroma grandiflorum[49]
Catharanthus roseus[55]

medical condition treated

acute bronchitis[56]

physically interacts with

Adenosine A1 receptor[57]

subjektil on roll: Antagonist

Adenosine A2a receptor[57]

subjektil on roll: Antagonist

Adenosine A2b receptor[57]

subjektil on roll: Antagonist

Adenosine A2b receptor[57]

subjektil on roll: Antagonist

Adenosine A3 receptor[57]

subjektil on roll: Antagonist

pregnancy category

Australian pregnancy category A
US pregnancy category C

on omadusega

kibedus[58]

subjektil on roll

phosphodiesterase inhibitor[59][60]
vasodilator agent[60]
bronchodilator[60]
purinergic P1 receptor antagonists[60]

MCN code

2939.59.10

mitte segamini ajada

etofylline[61]
Austyn

Commonsi kategooria

Theophylline

Viited

  1. 1,0 1,1 1,2 1,3 1,4 1,5 Global Substance Registration System, 20. november 2016, inglise keel, theophylline anhydrous, 0I55128JYK
  2. CAS Common Chemistry, 9. aprill 2021, ZFXYFBGIUFBOJW-UHFFFAOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=58-55-9
  3. 3,0 3,1 ChEMBL, 20. november 2016, inglise keel, THEOPHYLLINE, CHEMBL190
  4. 4,0 4,1 4,2 inferred from InChIKey
  5. 5,0 5,1 5,2 5,3 5,4 5,5 5,6 ZFXYFBGIUFBOJW-UHFFFAOYSA-N, InChIKey
  6. ECHA Substance Infocard database, 27. detsember 2018, 100.000.350, Theophylline, CAS no.: 58-55-9
  7. Protein Data Bank, 19. oktoober 2016, inglise keel, 3ROX, 3ROX
  8. Protein Data Bank, 19. oktoober 2016, inglise keel, 4EOH, 4EOH
  9. Protein Data Bank, 19. oktoober 2016, inglise keel, 1EHT, 1EHT
  10. Protein Data Bank, 19. oktoober 2016, inglise keel, 2A3A, 2A3A
  11. Protein Data Bank, 19. oktoober 2016, inglise keel, 1O15, 1O15
  12. 12,0 12,1 UniChem
  13. 13,0 13,1 Cambridge Structural Database, 10. jaanuar 2023, InChIKey match
  14. National Library of Israel Names and Subjects Authority File
  15. Freebase Data Dumps, 28. oktoober 2013
  16. 16,0 16,1 ChEBI, 19. oktoober 2016, inglise keel, theophylline, 28177
  17. Integrated Authority File
  18. 18,0 18,1 18,2 18,3 18,4 PubChem, 20. november 2016, inglise keel, 2153, theophylline
  19. ChEMBL, 19. jaanuar 2016, inglise keel, Theophylline, CHEMBL190
  20. DrugBank, inglise keel, 17. november 2015, 00277, Theophylline
  21. Firenze Keskrahvusraamatukogu
  22. Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  23. OpenAlex, 26. jaanuar 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
  24. ChemSpider, 20. november 2016, inglise keel, 2068, Theophylline
  25. ChEBI release 2020-09-01
  26. CosIng database, 28. detsember 2019, 38578, THEOPHYLLINE, CAS no.: 58-55-9
  27. IUPHAR/BPS Guide to PHARMACOLOGY, 20. november 2016, inglise keel, 413, theophylline
  28. International Chemical Identifier, InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
  29. Great Norwegian Encyclopedia, 4. juuni 2020
  30. GF WordNet
  31. Hazardous Substances Data Bank, 10. mai 2021, 28. oktoober 2019, THEOPHYLLINE, 3399
  32. N0000146469, 27. veebruar 2018, NDF-RT
  33. PubChem, 19. oktoober 2016, inglise keel, 2153, theophylline
  34. 34,0 34,1 Paper chromatography of alkaloids of tall fescue hay
  35. Studies on mate drinking
  36. 36,0 36,1 36,2 36,3 36,4 36,5 36,6 Mate substitutes or adulterants: study of xanthine content
  37. High-performance capillary electrophoresis analysis of mate infusions prepared from stems and leaves of Ilex paraguariensis using automated micellar electrokinetic capillary chromatography
  38. 38,0 38,1 38,2 38,3 Theophylline metabolism in higher plants
  39. Extraction of purine alkaloids from maté (Ilex paraguariensis) using supercritical CO(2)
  40. HPLC determination of caffeine and theophylline in Paullinia cupana Kunth (guarana) and Cola spp. samples
  41. Guaraná (Paullinia cupana) rewards seed dispersers without intoxicating them by caffeine
  42. The Xanthine Content of Guarana and Its Preparations
  43. Theobromine, theophylline, and caffeine in 42 samples and products of Guaraná (Paullinia cupana, Sapindaceae)
  44. Liquid Chromatographic Determination of Methylxanthines and Catechins in Herbal Preparations Containing Guaraná
  45. Survey of Catechins, Gallic Acid, and Methylxanthines in Green, Oolong, Pu-erh, and Black Teas
  46. Isolation of caffeine and theophylline from ripe tea seeds
  47. Extraction of purine alkaloids from cocoa tissues and determination by high-performance liquid chromatography
  48. Purine Alkaloid Production and Accumulation in Cocoa Callus and Suspension Cultures
  49. 49,0 49,1 Polyphenols of mature plant, seedling and tissue cultures of Theobroma cacao
  50. 50,0 50,1 50,2 Caffeine in Citrus flowers
  51. Isolation and characterization of 1,3-dimethylisoguanine from the Bermudian sponge Amphimedon viridis
  52. Biosynthesis and metabolism of purine alkaloids in leaves of cocoa tea (Camellia ptilophylla)
  53. Biosynthesis and biodegradation of caffeine, theobromine, and theophylline in Coffea arabica L. fruits
  54. Purine Alkaloids of the Fruits of Camellia sinensis L. and Coffea arabica L. during Fruit Development*
  55. Identification, characterization and distribution of terpene indole alkaloids in ethanolic extracts of Catharanthus roseus using high-performance liquid chromatography/electrospray ionization quadrupole time-of-flight tandem mass spectrometry and th
  56. 56,0 56,1 56,2 N0000146469, 13. detsember 2016, NDF-RT, inglise keel
  57. 57,0 57,1 57,2 57,3 57,4 IUPHAR/BPS Guide to PHARMACOLOGY, 17. august 2016, 413, inglise keel
  58. BitterDB
  59. N0000146469, 5. märts 2018, NDF-RT
  60. 60,0 60,1 60,2 60,3 Medical Subject Headings, 15. märts 2018, D013806
  61. etofylline