Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

ANALYTICAL

1 BioAnalytical Methods

otherMethods
1 BioAnalytical Methods

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: O-desmethyl tramadol, (+)-o-desmethyltramadol, 80456-81-1, Desmetramadol, Mono-o-demethyltramadol, (+)-o-demethyltramadol

Molecular Formula

C₁₅H₂₃NO₂

Molecular Weight

249.35 g/mol

InChI Key

UWJUQVWARXYRCG-HIFRSBDPSA-N

FDA UNII

9W28LW2ET5

1 2D Structure

Desmetramadol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol

2.1.2 InChI

InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1

2.1.3 InChI Key

UWJUQVWARXYRCG-HIFRSBDPSA-N

2.1.4 Canonical SMILES

CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O

2.1.5 Isomeric SMILES

CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O

2.2 Other Identifiers

2.2.1 UNII

9W28LW2ET5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. O-demethyl Tramadol

2. O-demethyltramadol

3. O-demethyltramadol Hydrochloride

4. Tramadol M1 Metabolite

2.3.2 Depositor-Supplied Synonyms

1. O-desmethyl Tramadol

2. (+)-o-desmethyltramadol

3. 80456-81-1

4. Desmetramadol

5. Mono-o-demethyltramadol

6. (+)-o-demethyltramadol

7. Desmetramadol, Cis-(+)-

8. Chembl1400

9. Desmetramadol, R,r-(+)-

10. 2wa8f50c3f

11. 9w28lw2et5

12. 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

13. Phenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, Cis-(+/-)-

14. 144830-14-8

15. O-dsmt

16. Chembl201556

17. Phenol, 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-

18. 3-[(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol

19. Phenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, (1r-cis)-

20. Tramadol M1 Metabolite

21. Unii-2wa8f50c3f

22. 3-{(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl}phenol

23. Desmetramadol [inn]

24. Unii-9w28lw2et5

25. Desmetramadol [who-dd]

26. Schembl2517055

27. Chebi:165221

28. Dtxsid401044548

29. Dtxsid901313651

30. 80456-81-1 (free Base)

31. Zinc2509756

32. Bdbm50176258

33. Bdbm50176263

34. Akos030241093

35. Ncgc00165941-01

36. Q63395330

37. Tramadol Hydrochloride Impurity D [ep Impurity]

38. 3-[(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxy-cyclohexyl]phenol

39. (rr,ss)-3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

40. Rel-3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

41. Phenol, 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, Rel-

42. Rac-3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenolc

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₃NO₂
Molecular Weight	249.35 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	249.172878976 g/mol
Monoisotopic Mass	249.172878976 g/mol
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Analgesics, Opioid

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

Drugs in Development