(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID

Modify Date: 2025-08-25 05:57:42

(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID Structure
(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID structure
Common Name (6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID
CAS Number 65429-42-7 Molecular Weight 452.48800
Density 1.33 Boiling Point 577.645ºC at 760 mmHg
Molecular Formula C24H30F2O6 Melting Point N/A
MSDS N/A Flash Point 303.149ºC

 Names

Name (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.33
Boiling Point 577.645ºC at 760 mmHg
Molecular Formula C24H30F2O6
Molecular Weight 452.48800
Flash Point 303.149ºC
Exact Mass 452.20100
PSA 100.90000
LogP 3.32780
Index of Refraction 1.561
InChIKey DEDYNJVITFVPOG-CQRCZTONSA-N
SMILES CCC(=O)OC1(C(=O)O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C
Storage condition -20°C

 Synthetic Route

~97%

(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID Structure

(6A,11B,16A,17A...

CAS#:65429-42-7

Literature: Alpharma APS Patent: EP1466920 A1, 2004 ; Location in patent: Page 7 ;

~99%

(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID Structure

(6A,11B,16A,17A...

CAS#:65429-42-7

Literature: SUN PHARMACEUTICAL INDUSTRIES LIMITED Patent: US2005/256325 A1, 2005 ; Location in patent: Page/Page column 8 ;
Detail
Literature: Barkalow, Jufang; Chamberlin, Steven A.; Cooper, Arthur J.; Hossain, Azad; Hufnagel, John J.; Langridge, Denton Patent: US2002/133032 A1, 2002 ;

~%

(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID Structure

(6A,11B,16A,17A...

CAS#:65429-42-7

Literature: Journal of Organic Chemistry, , vol. 51, # 12 p. 2315 - 2328

 Synonyms

Flutione propionate-17beta-carboxylic acid
UNII-TP537C010A
Flutione 17beta-carboxylic acid
Flutione 17|A-Carboxylic Acid Propionate
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