Dimethisterone

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

1 API Suppliers, 1 USDMF

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: Dimethisteron, Dimethisterone anhydrous, 79-64-1, Secrosteron, Lutogan, Dimetisterone [dcit]

Molecular Formula

C₂₃H₃₂O₂

Molecular Weight

340.5 g/mol

InChI Key

LVHOURKCKUYIGK-RGUJTQARSA-N

FDA UNII

OIC9M646C5

A synthetic progestational hormone without significant estrogenic or androgenic properties. It was formerly used as the progestational component in SEQUENTIAL ORAL CONTRACEPTIVE AGENTS .

1 2D Structure

Dimethisterone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

2.1.2 InChI

InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1

2.1.3 InChI Key

LVHOURKCKUYIGK-RGUJTQARSA-N

2.1.4 Canonical SMILES

CC#CC1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C)C)O

2.1.5 Isomeric SMILES

CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C)C)O

2.2 Other Identifiers

2.2.1 UNII

OIC9M646C5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, (6alpha,17beta)-

2. Dimethisterone Monohydrate

2.3.2 Depositor-Supplied Synonyms

1. Dimethisteron

2. Dimethisterone Anhydrous

3. 79-64-1

4. Secrosteron

5. Lutogan

6. Dimetisterone [dcit]

7. Dimethisterone [inn]

8. (6s,8r,9s,10r,13s,14s,17s)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one

9. Chebi:4606

10. Oic9m646c5

11. Dimethisteronum

12. Dimetisterona

13. Dimetisterone

14. Dimethisteronum [inn-latin]

15. Dimetisterona [inn-spanish]

16. 6-alpha,21-dimethylethisterone

17. Einecs 201-215-4

18. Dimethisterone [progestins]

19. Unii-oic9m646c5

20. 6-alpha-methyl-17-(1-propynyl)testosterone

21. 6-alpha-methyl-17-alpha-propynyltestosterone

22. 6alpha,21-dimethyl-17alpha-ethinyltestosterone

23. P-5048

24. 6alpha,21-dimethyl-17alpha-ethinyl Testosterone

25. 17-alpha-ethynyl-6-alpha,21-dimethyltestosterone

26. 6-alpha,21-dimethyl-17-alpha-ethinyltestosterone

27. 17-beta-hydroxy-6-alpha-methyl-17-(1-propynyl)androst-4-en-3-one

28. 17-alpha-ethynyl-17-hydroxy-6-alpha,21-dimethylandrost-4-en-3-one

29. 17-alpha-pregn-4-en-20-yn-3-one, 6-alpha,21-dimethyl-17-hydroxy-

30. 6-alpha,21-dimethyl-17-beta-hydroxy-17-alpha-pregn-4-en-20-yn-3-one

31. (6-alpha,17-beta)-17-hydroxy-6-methyl-17-(1-propynyl)-androst-4-en-3-one

32. Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, (6alpha,17beta)-

33. Dimethisterone [mi]

34. Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, (6-alpha,17-beta)-

35. Dsstox_cid_31623

36. Dsstox_rid_97507

37. Dsstox_gsid_57834

38. Schembl146840

39. Dimethisterone [who-dd]

40. Chembl2106347

41. Dtxsid5057834

42. Zinc3875518

43. Tox21_113973

44. Androst-4-en-3-one, 17-beta-hydroxy-6-alpha-methyl-17-(1-propynyl)-

45. Cas-79-64-1

46. Ncgc00274271-01

47. C07628

48. Q5277305

49. Androst-4-en-3-one,17-hydroxy-6-methyl-17-(1-propynyl)-,(6a,17b)-

50. (6s,8r,9s,10r,13s,14s,17s)-17-hydroxy-6,10,13-trimethyl-17-(prop-1-ynyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3(2h)-one

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₂O₂
Molecular Weight	340.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	340.240230259 g/mol
Monoisotopic Mass	340.240230259 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	706
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1