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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Superdrol, 3381-88-2, Methasteron, Methyldrostanolone, (2r,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one, Gh88dy98mr

Molecular Formula

C₂₁H₃₄O₂

Molecular Weight

318.5 g/mol

InChI Key

QCWCXSMWLJFBNM-FOVYBZIDSA-N

FDA UNII

GH88DY98MR

1 2D Structure

Methasterone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

2.1.2 InChI

InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1

2.1.3 InChI Key

QCWCXSMWLJFBNM-FOVYBZIDSA-N

2.1.4 Canonical SMILES

CC1CC2(C(CCC3C2CCC4(C3CCC4(C)O)C)CC1=O)C

2.1.5 Isomeric SMILES

C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)C

2.2 Other Identifiers

2.2.1 UNII

GH88DY98MR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2 Alpha,17 Alpha-dimethyldihydrotestosterone

2. 2,17-dimethyldihydrotestosterone

2.3.2 Depositor-Supplied Synonyms

1. Superdrol

2. 3381-88-2

3. Methasteron

4. Methyldrostanolone

5. (2r,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one

6. Gh88dy98mr

7. 2alpha,17alpha-dimethyldihydrotestosterone

8. Nsc-40490

9. 17beta-hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one

10. 17a-methyl-drostanolone

11. 17-methyldrostanolone

12. 2,17-dimethyldihydrotestosterone

13. Nsc 40490

14. Unii-gh88dy98mr

15. Methasterone [who-dd]

16. Schembl4115285

17. Niosh/bv8047800

18. Chebi:79618

19. Dtxsid10187472

20. Nsc40490

21. Zinc4792120

22. Akos015902002

23. Bv80478000

24. Q15409388

25. 2-alpha,17-alpha-dimethyl-17-beta-hydroxy-5-alpha-androstan-3-one

26. 2.alpha.17.alpha.-dimethyletiocholan-3-on-17.beta.-ol

27. 5-alpha-androstan-3-one, 2-alpha,17-alpha-dimethyl-17-beta-hydroxy-

28. 17.beta.-hydroxy-2.alpha.,17.alpha.-dimethyl-5.alpha.-androstane-3-one

29. 2.alpha.,17.alpha.-dimethyl-17.beta.-hydroxy-5.alpha.-androstane-3-one

30. Androstan-3-one, 17-hydroxy-2,17-dimethyl-, (2.alpha.,5.alpha.,17.beta.)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₄O₂
Molecular Weight	318.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	318.255880323 g/mol
Monoisotopic Mass	318.255880323 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1