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Chemistry

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Also known as: Paramorphine, 115-37-7, Thebain, 3-o-methyl-oripavin, 4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien, 2p9mkg8gx7
Molecular Formula
C19H21NO3
Molecular Weight
311.4  g/mol
InChI Key
FQXXSQDCDRQNQE-VMDGZTHMSA-N
FDA UNII
2P9MKG8GX7

Thebaine
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

Thebaine

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. 2p9mkg8gx7

7. (5r,9r,13s)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien

8. Chebi:9519

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

10. Ncgc00160239-01

11. Dsstox_cid_26099

12. Dsstox_rid_81337

13. Dsstox_gsid_46099

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

15. 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan

16. Cas-115-37-7

17. Einecs 204-084-1

18. Unii-2p9mkg8gx7

19. Tebaine

20. Thenaine

21. Kodein

22. Dea No. 9333

23. Thebaine, Powder

24. Ncgc00247709-01

25. Thebaine [mi]

26. Thebaine [who-dd]

27. Schembl37580

28. Chembl403893

29. Ids-nt-002

30. Dtxsid7046099

31. Schembl19880976

32. Thebaine 0.1 Mg/ml In Methanol

33. Bdbm224032

34. Tox21_111751

35. Tox21_112863

36. Zinc53199482

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

38. C06173

39. Codeine Monohydrate Impurity G [ep Impurity]

40. Q63392872

41. Oxycodone Hydrochloride Impurity F [ep Impurity]

42. Thebaine, European Pharmacopoeia (ep) Reference Standard

43. Codeine Hydrochloride Dihydrate Impurity G [ep Impurity]

44. Codeine Phosphate Hemihydrate Impurity G [ep Impurity]

45. Codeine Phosphate Sesquihydrate Impurity G [ep Impurity]

46. 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan

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

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

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

50. Thebaine Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

51. 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 Mass311.15214353 g/mol
Monoisotopic Mass311.15214353 g/mol
Topological Polar Surface Area30.9 Ų
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

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.)


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.)


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30-Jan-2021
24-Sep-2024
KGS
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Average Price (USD/KGS)

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Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

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ABOUT THIS PAGE

Thebaine Manufacturers

A Thebaine manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Thebaine, including repackagers and relabelers. The FDA regulates Thebaine manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Thebaine API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Thebaine manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Thebaine Suppliers

A Thebaine supplier is an individual or a company that provides Thebaine active pharmaceutical ingredient (API) or Thebaine finished formulations upon request. The Thebaine suppliers may include Thebaine API manufacturers, exporters, distributors and traders.

click here to find a list of Thebaine suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Thebaine NDC

National Drug Code is a comprehensive database maintained by the FDA that contains information on all drugs marketed in the US. This directory includes information about finished drug products, unfinished drug products, and compounded drug products, including those containing Thebaine as an active pharmaceutical ingredient (API).

Finished drug products

The FDA updates the NDC directory daily. The NDC numbers for Thebaine API and other APIs are published in this directory by the FDA.

Unfinished drugs

The NDC unfinished drugs database includes product listing information submitted for all unfinished drugs, such as active pharmaceutical ingredients (APIs), drugs intended for further processing and bulk drug substances for compounding.

Pharmaceutical companies that manufacture Thebaine as an active pharmaceutical ingredient (API) must furnish the FDA with an updated record of all drugs that they produce, prepare, propagate, compound, or process for commercial distribution in the US at their facilities.

Compounded drug products

The NDC directory also contains data on finished compounded human drug products that contain Thebaine and are produced by outsourcing facilities. While these outsourcing facilities are not mandated to assign a Thebaine NDC to their finished compounded human drug products, they may choose to do so.

click here to find a list of Thebaine suppliers with NDC on PharmaCompass.

Thebaine GMP

Thebaine Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Thebaine GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Thebaine GMP manufacturer or Thebaine GMP API supplier for your needs.

Thebaine CoA

A Thebaine CoA (Certificate of Analysis) is a formal document that attests to Thebaine's compliance with Thebaine specifications and serves as a tool for batch-level quality control.

Thebaine CoA mostly includes findings from lab analyses of a specific batch. For each Thebaine CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Thebaine may be tested according to a variety of international standards, such as European Pharmacopoeia (Thebaine EP), Thebaine JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Thebaine USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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