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MolPort-001-734-403
Also known as: 57132-53-3, Proglumetacina, Proglumetacine, Proglumetacinum, 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate, Chebi:76263
Molecular Formula
C46H58ClN5O8
Molecular Weight
844.4  g/mol
InChI Key
PTXGHCGBYMQQIG-UHFFFAOYSA-N
FDA UNII
FV919079LU

1 2D Structure

MolPort-001-734-403

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
2.1.2 InChI
InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)
2.1.3 InChI Key
PTXGHCGBYMQQIG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5
2.2 Other Identifiers
2.2.1 UNII
FV919079LU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3'-(4-(2-(1-p-chlorobenzoyl-5-methoxy-2-methylindol-3-ylacetoxy)ethyl)piperazin-1-yl)propyl-4-benzamido-n,n-dipropylglutaramate (+-) Dimaleate

2. Prodamox

3. Proglumetacin Dimaleate

4. Proglumetacin Maleate

5. Protacine

6. Protaxil

7. Protaxon

2.3.2 Depositor-Supplied Synonyms

1. 57132-53-3

2. Proglumetacina

3. Proglumetacine

4. Proglumetacinum

5. 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate

6. Chebi:76263

7. Fv919079lu

8. Proglumetacin (inn)

9. Ncgc00183024-01

10. Proglumetacin [inn]

11. 3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl Dl-4-benzamido-n,n-dipropylglutaramate 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate (ester)

12. Proglumetacin [inn:ban]

13. Proglumetacine [inn-french]

14. Proglumetacinum [inn-latin]

15. Proglumetacina [inn-spanish]

16. Unii-fv919079lu

17. Bruxel (tn)

18. Proglumetacin [mi]

19. Dsstox_cid_28768

20. Dsstox_rid_83037

21. Dsstox_gsid_48842

22. Schembl27106

23. Proglumetacin [who-dd]

24. Chembl2105825

25. Dtxsid0048842

26. Tox21_113325

27. Db13527

28. Cas-57132-53-3

29. Hy-106560

30. Cs-0026053

31. Ft-0758237

32. D08427

33. A913226

34. Q2208070

35. 5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl)-1-piperazinyl)ethyl Ester, (+/-)-

36. 1h-indole-3-acetic Acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-(3-((4-(benzoylamino)-

37. 1h-indole-3-acetic Acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-(3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl)-1-piperazinyl)ethyl Ester

38. 1h-indole-3-acetic Acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl Ester (9ci)

39. 3-(4-(2-(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl)acetoxy)ethyl)piperazin-1-yl)propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate

40. 3-[4-(2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetoxy}ethyl)piperazin-1-yl]propyl N(2)-benzoyl-n,n-dipropyl-alpha-glutaminate

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 844.4 g/mol
Molecular Formula C46H58ClN5O8
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass843.3973915 g/mol
Monoisotopic Mass843.3973915 g/mol
Topological Polar Surface Area140 Ų
Heavy Atom Count60
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)


4.2 ATC Code

M - Musculo-skeletal system

M01 - Antiinflammatory and antirheumatic products

M01A - Antiinflammatory and antirheumatic products, non-steroids

M01AB - Acetic acid derivatives and related substances

M01AB14 - Proglumetacin


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