13-Ethyl-11-Methylidenegon-4-En-17-One

Chemistry, 1 End Use API, 3 Related Intermediates

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1 APIs

1 APIs

Also known as: Desogestrel impurity c, 54024-21-4, 8i5jc3o57t, Gon-4-en-17-one, 13-ethyl-11-methylene-, (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, Unii-8i5jc3o57t

Molecular Formula

C₂₀H₂₈O

Molecular Weight

284.4 g/mol

InChI Key

KVNYZZFGXXHVMG-CAVMOMJPSA-N

FDA UNII

8I5JC3O57T

1 2D Structure

13-Ethyl-11-Methylidenegon-4-En-17-One

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8S,9S,10R,13S,14S)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

2.1.2 InChI

InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17-,19+,20-/m0/s1

2.1.3 InChI Key

KVNYZZFGXXHVMG-CAVMOMJPSA-N

2.1.4 Canonical SMILES

CCC12CC(=C)C3C(C1CCC2=O)CCC4=CCCCC34

2.1.5 Isomeric SMILES

CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34

2.2 Other Identifiers

2.2.1 UNII

8I5JC3O57T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 13-ethyl-11-methylenegon-4-en-17-one

2. 13beta-ethyl-11-methylenegon-4-en-17-one

2.3.2 Depositor-Supplied Synonyms

1. Desogestrel Impurity C

2. 54024-21-4

3. 8i5jc3o57t

4. Gon-4-en-17-one, 13-ethyl-11-methylene-

5. (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

6. Unii-8i5jc3o57t

7. Desogestrel Impurity C [ep]

8. Desogestrel Specified Impurity C [ep]

9. 13-ethyl-11-methylene-gon-4-en-17-one

10. 13beta-ethyl-11-methylenegon-4-en-17-one

11. (+)-13beta-ethyl-11-methylenegon-4-en-17-one

12. Schembl6689499

13. Zinc22059087

14. Akos025290382

15. 18-methyl-11-methylene-4eh-17-one

16. 13?-ethyl-11-methylenegon-4-en-17-one

17. 13-ethyl-11-methylene-gon-4-ene-17-one

18. Desogestrel Impurity C [ep Impurity]

19. 13beta-ethyl-11-methylenegona-4-ene-17-one

20. C15950

21. Desogestrel Related Compound D [usp-rs]

22. 024e214

23. Q-102814

24. 13.beta.-ethyl-11-methylenegon-4-en-17-one

25. Desogestrel Related Compound D [usp Impurity]

26. Q27270566

27. (+)-13.beta.-ethyl-11-methylenegon-4-en-17-one

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈O
Molecular Weight	284.4 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	284.214015512 g/mol
Monoisotopic Mass	284.214015512 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	514
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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13-ethyl-11-methylene-gon-4-en-17-one

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CAS Number

54024-21-4

End Use API

Desogestrel

About the Company

Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...

Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP factories in China for their sales and business development to global market. Most of the products have USDMF, EDMF, CEP, etc, and we have a professional regulatory affairs team who will provide you the documentation as per relative authority's requirement and accelerate your drug application process. Our product category includes Oncology, Anti-infective, Anti-diabetic, Prostaglandin, Immunosuppressant and Veterinary, etc.

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