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2D Structure
Also known as: 113-07-5, Stimulexin, Dopram, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one monohydrochloride, Doxapram hydrochloride anhydrous, Doxapram (hydrochloride)
Molecular Formula
C24H31ClN2O2
Molecular Weight
415.0  g/mol
InChI Key
MBGXILHMHYLZJT-UHFFFAOYSA-N
FDA UNII
FB8713U6DM

A central respiratory stimulant with a brief duration of action. (From Martindale, The Extra Pharmocopoeia, 30th ed, p1225)
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrochloride
2.1.2 InChI
InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H
2.1.3 InChI Key
MBGXILHMHYLZJT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.Cl
2.2 Other Identifiers
2.2.1 UNII
FB8713U6DM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Docatone

2. Dopram

3. Doxapram

4. Hydrochloride, Doxapram

2.3.2 Depositor-Supplied Synonyms

1. 113-07-5

2. Stimulexin

3. Dopram

4. 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one Monohydrochloride

5. Doxapram Hydrochloride Anhydrous

6. Doxapram (hydrochloride)

7. Fb8713u6dm

8. 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrochloride

9. 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-onemonohydrochloride

10. Dsstox_cid_27815

11. Dsstox_rid_82579

12. Dsstox_gsid_47837

13. Doxapramhydrochloride

14. Chebi:59837

15. Ahr-619

16. Cas-113-07-5

17. 3,3-diphenyl-1-ethyl-4-(2-morpholinoethyl)-2-pyrrolidinone Hydrochloride

18. 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone Hydrochloride Hydrate

19. 2-pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, Monohydrochloride, Monohydrate

20. Ncgc00167459-01

21. Unii-fb8713u6dm

22. Einecs 204-022-3

23. 2-pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, Monohydrochloride

24. Schembl40645

25. Mls001424142

26. Chembl1200876

27. Dtxsid9047837

28. Tox21_112463

29. Mfcd00072148

30. Nsc170958

31. Akos015906444

32. Tox21_112463_1

33. Ac-4694

34. Ccg-101076

35. Ccg-221205

36. Nc00326

37. Nsc 170958

38. Sb18933

39. 2-pyrrolidinone, 1-ethyl-4-(2-(4-morpholinyl)ethyl)-3,3-diphenyl-, Monohydrochloride

40. Ncgc00167459-02

41. As-13336

42. Smr000469229

43. 2-pyrrolidinone,3-diphenyl-, Monohydrochloride

44. 081d530

45. 113d075

46. J-002892

47. Q27126918

48. 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one Hydrochloride

49. (+/-)-1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone Monohydrochloride

50. 2-pyrrolidinone, 1-ethyl-4-(2-(4-morpholinyl)ethyl)-3,3-diphenyl-, Hydrochloride, Hydrate (1:1:1)

51. 2-pyrrolidinone, 1-ethyl-4-(2-(4-morpholinyl)ethyl)-3,3-diphenyl-, Monohydrochloride, (+/-)-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 415.0 g/mol
Molecular Formula C24H31ClN2O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass414.2074059 g/mol
Monoisotopic Mass414.2074059 g/mol
Topological Polar Surface Area32.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameDoxapram hydrochloride
Drug LabelDOPRAM Injection (doxapram hydrochloride injection, USP) is a clear, colorless, sterile, non-pyrogenic, aqueous solution with pH 3.5 to 5, for intravenous administration.Each 1 mL contains:Doxapram Hydrochloride, USP ....................................
Active IngredientDoxapram hydrochloride
Dosage FormInjectable
RouteInjection
Strength20mg/ml
Market StatusPrescription
CompanyBedford

2 of 2  
Drug NameDoxapram hydrochloride
Drug LabelDOPRAM Injection (doxapram hydrochloride injection, USP) is a clear, colorless, sterile, non-pyrogenic, aqueous solution with pH 3.5 to 5, for intravenous administration.Each 1 mL contains:Doxapram Hydrochloride, USP ....................................
Active IngredientDoxapram hydrochloride
Dosage FormInjectable
RouteInjection
Strength20mg/ml
Market StatusPrescription
CompanyBedford

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Central Nervous System Stimulants

A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here. (See all compounds classified as Central Nervous System Stimulants.)


Respiratory System Agents

Drugs used for their effects on the respiratory system. (See all compounds classified as Respiratory System Agents.)


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
Respiratory Stimulant [EPC]; Increased Medullary Respiratory Drive [PE]