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AG00BXRV

Name: 21-Acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione
Brand: Angene Chemical
SKU: AG00BXRV

338-98-7 | 21-Acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione

Chemical structure of 21-Acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione, CAS 338-98-7

AG00BXRV

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CAS Number	338-98-7
Catalog Number	AG00BXRV(AGN-PC-0R9DWI)
Chemical Name	21-Acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione
EC Number	206-423-9
IUPAC Name	[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChI	InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
InChI Key	ZOCUOMKMBMEYQV-GSLJADNHSA-N
MDL Number	MFCD00468096
Molecular Formula	C23H29FO6
Molecular Weight	420.4712
SMILES	F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(COC(C)=O)=O)(O)CC3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
UNII	55P9TUL75S
Synonyms	9 alpha-fluoroprednisolone 21-acetate, biorinil, biorinil, (6alpha,11beta)-isomer, isoflupredone acetate, ISOFLUPREDONE ACETATE, 338-98-7, Predef, 9-Fluoroprednisolone acetate, Biorinil, 9-Fluoroprednisolone 21-acetate, U-6013, Isoflupredone 21-acetate, UNII-55P9TUL75S, U 6013, Predef R 2X, Predef 2X, NSC 12600, NSC 37977, MLS002154168, 55P9TUL75S, CHEBI:34517, 9-Fluorprednisolone acetate, Predef (Veterinary), 9alpha-Fluoroprednisolone acetate, 21-Acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione, Prednisolone, 21-acetate, 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, 9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, DSSTox_CID_25306, DSSTox_RID_80792, DSSTox_GSID_45306, Predef, veterinary, EINECS 206-423-9, Prednisolone, 9-fluoro-, 21-acetate, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11beta)-, Isoflupredone acetate (USAN), MLS002701905, 9.alpha.-Fluoroprednisolone acetate, NSC12600, NSC37977, 9-Fluoro-11.beta.,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-, 21-acetate, 9-Fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, Pregna-1,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11.beta.)-, 9.alpha.-Fluoroprednisolone 21-acetate, Isoflupredone acetate [USAN:USP], NCGC00016433-01, 7793-38-6, CAS-338-98-7, Prestwick0_000006, Prestwick1_000006, Prestwick2_000006, Prestwick3_000006, AC1L5D5K, SCHEMBL42746, BSPBio_000011, SPBio_001932, 9\|A-Fluoroprednisolone Acetate, BPBio1_000013, CHEMBL1608183, DTXSID3045306, Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-, 21-acetate, HMS1568A13, HMS2095A13, HMS2230O19, HMS3712A13, 9\|A-Fluoroprednisolone 21-Acetate, BCP11877, ZINC4213604, Tox21_110437, 9alpha-Fluoroprednisolone 21-acetate, NSC-12600, NSC-37977, AKOS025402238, Tox21_110437_1, AC-6833, AN-9612, API0010029, CCG-220006, NCGC00179685-01, NCGC00179685-03, NCI60_000602, NCI60_003588, SMR001233466, AB2000747, AB00513794, C14636, D04627, 338I987, Q-101369, 21-Acetoxy-9-fluoro-11\|A,17-dihydroxypregna-1,4-diene-3,20-dione, 21-Acetoxy-9-fluoro-11beta,17-dihydroxypregna-1,4-diene-3,20-dione, 9-Fluoro-11\|A,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-Acetate, 9\|A-Fluoro-11\|A,17\|A,21-trihydroxypregna-1,4-diene-3,20-dione 21-Acetate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-, 21-acetate (8CI), [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate, [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-, 21-acetate (6CI,7CI,8CI), deltarhinol, ISOFLUPREDONE, C23H29FO6, Isoflupredone acetate [USAN], biorinil, (6alpha,11beta)-isomer, AR-1L1703, C23-H29-F-O6, CID224246, 9 alpha-fluoroprednisolone 21-acetate, X0001, C065592, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11.beta.)-, 21-Acetoxy-9-fluoro-11\|A,17-dihydroxypregna-1,4-diene-3,20-dione; 9-Fluoro-11\|A,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-Acetate; 9\|A-Fluoroprednisolone 21-Acetate; 9\|A-Fluoroprednisolone Acetate; NSC 12600; NSC 37977; 9-Fluoroprednisolone Acetate, 38615-38-2,

Complexity	879
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	420.195g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	420.477g/mol
Monoisotopic Mass	420.195g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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