AG0080N5

124-94-7 | 11β,16α,17α,21-Tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione

AG0080N5

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CAS Number	124-94-7
Catalog Number	AG0080N5(AGN-PC-0PHXJD)
Chemical Name	11β,16α,17α,21-Tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione
EC Number	204-718-7
IUPAC Name	(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChI	InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
InChI Key	GFNANZIMVAIWHM-OBYCQNJPSA-N
MDL Number	MFCD00010477
Molecular Formula	C21H27FO6
Molecular Weight	394.4339
NSC Number	13397
SMILES	OC[C@@]([C@@]([C@@H](C[C@]2([H])[C@](C[C@@H]([C@@]3(F)[C@]([H])2CCC4=CC(C=C[C@]34C)=O)O)1C)O)1O)=O
UNII	1ZK20VI6TY
Synonyms	Aristocort, Triamcinolone, Volon, triamcinolone, Fluoxyprednisolone, 124-94-7, Aristocort, Rodinolone, Triamcinolon, Kenacort, Volon, Adcortyl, Delphicort, Ledercort, Triamcet, Tricortale, Celeste, Triam-Tablinen, Cinolone-T, SK-Triamcinolone, Triamcinlon, Triamcinolona, Triamcinolonum, Mycolog, Omcilon, Fluoxiprednisolone, Kenacort-AG, Triamcinolonum [INN], Aristocort Tablets, Tiamcinolonum, Triamcinalone, Tiamcinolonum [INN-Latin], Triamcinolona [INN-Spanish], Cinolone, 9alpha-Fluoro-16alpha-hydroxyprednisolone, CL 19823, UNII-1ZK20VI6TY, C21H27FO6, HSDB 3194, 9-alpha-Fluoro-16-alpha-hydroxyprednisolone, 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, EINECS 204-718-7, NSC 13397, (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, BRN 2341955, 1ZK20VI6TY, Omicilon, Prednisolone, 9-fluoro-16alpha-hydroxy-, MLS000028542, MLS001066543, CHEBI:9667, 9.alpha.-Fluoro-16.alpha.-hydroxyprednisolone, NSC13397, 9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, 11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione, SMR000058333, Prednisolone, 9-fluoro-16.alpha.-hydroxy-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-, DSSTox_CID_20742, DSSTox_RID_79584, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11-beta,16-alpha)-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha), Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-, DSSTox_GSID_40742, (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, Tristoject, Fougera, Trilone, 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione, 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione, Kenacort (TN), Triamcinolone (Aristocort), 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione, Triamcinolone [USAN:INN:BAN:JAN], Triaderm, Triamcinolone Base, 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione, 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-, NCGC00094799-01, CAS-124-94-7, Triamcinolone [USP:INN:BAN:JAN], Prestwick_438, Triamcinolone, topical, AC1L1LDH, AC1Q5HJC, Triamcinolone(Aristocort), Prestwick0_000120, Prestwick1_000120, Prestwick2_000120, Prestwick3_000120, SCHEMBL4447, CHEMBL1451, Lopac0_001179, BSPBio_000140, 4-08-00-03629 (Beilstein Handbook Reference), cid_31307, MLS002695935, SPBio_002079, BPBio1_000154, GTPL2870, DTXSID1040742, BDBM41132, Triamcinolone (JP17/USP/INN), (11beta,16alpha)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, GFNANZIMVAIWHM-OBYCQNJPSA-N, HMS1568G22, HMS2090D12, HMS2095G22, HMS2231E20, HMS3263L19, HMS3712G22, BCP11941, HY-B0328, ZINC3882036, Tox21_111332, Tox21_300178, Tox21_501179, LS-698, MFCD00010477, NSC-13397, s1933, AKOS015895436, Tox21_111332_1, AC-2072, CCG-205253, CS-2370, DB00620, LP01179, 11.beta.,16.alpha.,17.alpha., 21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione, BRN-2341955, SMP1_000300, NCGC00021580-03, NCGC00021580-04, NCGC00021580-05, NCGC00021580-06, NCGC00021580-07, NCGC00021580-08, NCGC00178404-03, NCGC00254049-01, NCGC00261864-01, 51855-44-8, AN-14322, AS-13657, BC214769, NCI60_000750, SC-46306, TRIAMCINOLONE (SEE ALSO TRIAMCINOLONE ACETONIDE (76-25-5) AND TRIAMCINOLONE DIACETATE (67-78-7)), AB1010916, EU-0101179, D00385, J10062, 124T947, SR-01000000079, SR-01000000079-3, BRD-K77554836-001-03-3, BRD-K77554836-001-14-0, Triamcinolone, British Pharmacopoeia (BP) Reference Standard, Triamcinolone, European Pharmacopoeia (EP) Reference Standard, WLN: L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQ, Triamcinolone, United States Pharmacopeia (USP) Reference Standard, 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione, 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, Pregna-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, 11.beta.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione, 9.alpha.-Fluoro-11.beta.,17.alpha.,21-tetrahydroxypregna-1,4-diene-3,20-dione, 9|A-Fluoro-11|A,16|A,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; Fluoxyprednisolone, Pregna-1,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-, Pregna-1,4-diene-3, 20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy- (8CI), (1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-3,6-dien-5-one, (1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one, 9.alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-, tetrahydro deriv., Orion, Polcortolon, Kenalog, Vetalog, Kenacort-A, Nasacort, ione, Aristospan, Triadcortyl, Aristogel, Azmacort, Kenacomb, Triacort, Oracort, Oralone, Triacet, Triatex, Triderm, Flutex, Trymex, Aristocort (TN), Aristocort A, Tri-Adcortyl, Triadcortyl Otic, TAC ointment, Tetrahydrotriamcinolone, Kenalog-H, Nasacort AQ, Tri-Nasal, Nasacort HFA, Volon A, Tricortone (TN), Tristoject (TN), Triesence (TN), Kenalog in Orabase, Azmacort (TN), Nasacort (TN), Kenalog-10, Kenalog-40, Fougera (TN), Kenalog (TN), Triderm (TN), Trilone (TN), Tri-Nasal (TN), Volon A (TN), TRIAMCINOLONE ACETONIDE, TRIAMCINOLONE DIACETATE, D03BLF, TRIAMCINOLONE HEXACETONIDE, Pregna-1,4-diene-3,20-dio, C21H31FO6, Triamcinolone (JP15/USP/INN), CID31307, droxypregna-1,4-diene-3,20-dione, C21-H27-F-O6, C21-H31-F-O6, Triamcinolone [USAN:BAN:INN:JAN], CS-O-30791, B1859, T 6376, C014118, D014221, delta-1-9alpha-fluoro-16alpha-hydroxyhydrocortisone, 9.Alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahy, 9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, (11-beta, 16-alpha)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, 11.beta.,16.alpha.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione, 9.Alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-d, 9.alpha.-Fluoro-11.beta.,16.alpha.,17.alpha.,21-tetrahydroxypregna-1,4-diene-3,20-dione, Gramicidin, Neomycin Sulfate, Nystatin, Triamcinolone Acetonide Drug Combination, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-(8CI), Pregna-1,4-dieno-3,20-diona 9-fluoro-11,16,17,21 tetrahidroxi-, (11beta, 16alfa)-,

Complexity	807
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	394.179g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	394.439g/mol
Monoisotopic Mass	394.179g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H351
Packing Group
Precautionary statements	P280-P281
UN Code

Certificate of Analysis

Lot Number