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CAS 115-37-7
Also known as: Paramorphine, 115-37-7, Thebain, 3-o-methyl-oripavin, 4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien, Einecs 204-084-1
Molecular Formula
C19H21NO3
Molecular Weight
311.4  g/mol
InChI Key
FQXXSQDCDRQNQE-VMDGZTHMSA-N
FDA UNII
2P9MKG8GX7

A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed)
1 2D Structure

CAS 115-37-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
2.1.2 InChI
InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
2.1.3 InChI Key
FQXXSQDCDRQNQE-VMDGZTHMSA-N
2.1.4 Canonical SMILES
CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
2.1.5 Isomeric SMILES
CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
2.2 Other Identifiers
2.2.1 UNII
2P9MKG8GX7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Paramorphine

2. 115-37-7

3. Thebain

4. 3-o-methyl-oripavin

5. 4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien

6. Einecs 204-084-1

7. Unii-2p9mkg8gx7

8. 2p9mkg8gx7

9. (5r,9r,13s)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien

10. Chebi:9519

11. Dea No. 9333

12. Dtxsid7046099

13. (4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline

14. Ncgc00160239-01

15. Thebaine [controlled Substance]

16. Dtxcid5026099

17. (5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan

18. 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan

19. Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-

20. Cas-115-37-7

21. Tebaine

22. Thenaine

23. Kodein

24. Thebaine, Powder

25. Ncgc00247709-01

26. Thebaine [mi]

27. D0o2ld

28. Thebaine [who-dd]

29. Schembl37580

30. Chembl403893

31. Ids-nt-002

32. Schembl19880976

33. Thebaine 0.1 Mg/ml In Methanol

34. Fqxxsqdcdrqnqe-vmdgzthmsa-n

35. Bdbm224032

36. Tox21_111751

37. Tox21_112863

38. Ls-92171

39. C06173

40. Codeine Monohydrate Impurity G [ep Impurity]

41. Q63392872

42. Oxycodone Hydrochloride Impurity F [ep Impurity]

43. Thebaine, European Pharmacopoeia (ep) Reference Standard

44. Codeine Hydrochloride Dihydrate Impurity G [ep Impurity]

45. Codeine Phosphate Hemihydrate Impurity G [ep Impurity]

46. Codeine Phosphate Sesquihydrate Impurity G [ep Impurity]

47. 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan

48. Hydrocodone Hydrogen Tartrate 2.5-hydrate Impurity I [ep Impurity]

49. (5-alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan

50. (5.alpha.)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan

51. Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)-

52. Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-,(5.alpha.)-

53. D4r

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 311.4 g/mol
Molecular Formula C19H21NO3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area30.9
Heavy Atom Count23
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Convulsants

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools. (See all compounds classified as Convulsants.)


Narcotics

Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS. (See all compounds classified as Narcotics.)


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Established in 1995, Kimyagaran Emrooz Chemical Industries Co. is recognized as one of the major leading ...
Established in 1995, Kimyagaran Emrooz Chemical Industries Co. is recognized as one of the major leading production enterprises in the ethoxylation and propoxylation industry for manufacturing a wide variety of chemicals and pharmaceuticals in the Middle East. The company started out its journey by producing pharmaceutical polyethylene glycols (PEGs). It is currently the leading manufacturer of a wide variety of ethoxylated and propoxylated products that are consumed in 17 different industrial branches. The firm places a lot of emphasis on focuses a lot on research and development. The company currently boasts of over 3,000 customers.
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16614-59-8
Buprenorphine
Established in 1995, Kimyagaran Emrooz Chemical Industries Co. is recognized as one of the major leading ...
Established in 1995, Kimyagaran Emrooz Chemical Industries Co. is recognized as one of the major leading production enterprises in the ethoxylation and propoxylation industry for manufacturing a wide variety of chemicals and pharmaceuticals in the Middle East. The company started out its journey by producing pharmaceutical polyethylene glycols (PEGs). It is currently the leading manufacturer of a wide variety of ethoxylated and propoxylated products that are consumed in 17 different industrial branches. The firm places a lot of emphasis on focuses a lot on research and development. The company currently boasts of over 3,000 customers.
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2516-33-8
Naltrexone
SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Interm...
SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Intermediates, Chemicals, Formulations, Medical supplies, etc... With a self-owned brand of "SAINTSUN PHARMA", after more than 12 years efforts, our products are successfully expanded to different continents like Asia, South America, Africa more than 35 countries and regions.
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5911-08-0
Naltrexone
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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5911-08-0
Buprenorphine
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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1759-53-1
Naltrexone
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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4023-34-1
Naltrexone
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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1759-53-1
Buprenorphine
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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Flag India
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URL Supplier Web Content
4023-34-1
Buprenorphine
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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