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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Od742d6tj9, Cdb-1321d, Cdb-1321, Rti-1176-012, 226066-52-0, (7alpha,11beta,17beta)-17-hydroxy-7,11-dimethylestr-4-en-3-one

Molecular Formula

C₂₀H₃₀O₂

Molecular Weight

302.5 g/mol

InChI Key

KVIKZOGGZHCGFH-RJMNTABLSA-N

FDA UNII

OD742D6TJ9

1 2D Structure

Dimethandrolone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C20H30O2/c1-11-8-13-9-14(21)4-5-15(13)18-12(2)10-20(3)16(19(11)18)6-7-17(20)22/h9,11-12,15-19,22H,4-8,10H2,1-3H3/t11-,12+,15+,16+,17+,18-,19+,20+/m1/s1

2.1.3 InChI Key

KVIKZOGGZHCGFH-RJMNTABLSA-N

2.1.4 Canonical SMILES

CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3C)C)O

2.1.5 Isomeric SMILES

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(C[C@@H]3C)C)O

2.2 Other Identifiers

2.2.1 UNII

OD742D6TJ9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7a,11b-dmnt

2. 7alpha,11beta-dimethyl-19-nortestosterone

2.3.2 Depositor-Supplied Synonyms

1. Od742d6tj9

2. Cdb-1321d

3. Cdb-1321

4. Rti-1176-012

5. 226066-52-0

6. (7alpha,11beta,17beta)-17-hydroxy-7,11-dimethylestr-4-en-3-one

7. Unii-od742d6tj9

8. Schembl2246608

9. Dtxsid001046859

10. Estr-4-en-3-one, 17-hydroxy-7,11-dimethyl-, (7alpha,11beta,17beta)-

11. (7.alpha.,11.beta.,17.beta.)-17-hydroxy-7,11-dimethylestr-4-en-3-one

12. Estr-4-en-3-one, 17-hydroxy-7,11-dimethyl-, (7.alpha.,11.beta.,17.beta.)-

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

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₀O₂
Molecular Weight	302.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	302.224580195 g/mol
Monoisotopic Mass	302.224580195 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	522
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