AG00AE0A

Name: (11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
Brand: Angene Chemical
SKU: AG00AE0A

161740-69-8 | (11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Chemical structure of (11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, CAS 161740-69-8

AG00AE0A

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CAS Number	161740-69-8
Catalog Number	AG00AE0A(AGN-PC-0Q84D2)
Chemical Name	(11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
IUPAC Name	(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2,2-dihydroxyacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChI	InChI=1S/C24H31FO7/c1-20(2)31-17-10-15-14-6-5-12-9-13(26)7-8-21(12,3)23(14,25)16(27)11-22(15,4)24(17,32-20)18(28)19(29)30/h7-9,14-17,19,27,29-30H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,21-,22-,23-,24-/m0/s1
InChI Key	ASTBRKVQRYGLJO-DGGKRYAMSA-N
MDL Number	MFCD01316387
Molecular Formula	C24H31FO7
Molecular Weight	450.4971
SMILES	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C(O)O
UNII	S0B64T183I
Synonyms	UNII-S0B64T183I, Triamcinolone acetonide 21-aldehyde hydrate, S0B64T183I, 161740-69-8, 9-Fluoro-11beta,21,21-trihydroxy-16alpha,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione, 21-Hydroxy triamcinolone acetonide, Triamcinolone acetonide specified impurity C [EP], Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21,21-trihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-, 9-Fluoro-11beta,21,21-trihydroxy-16alpha,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione (Triamcinolone Acetonide 21-Aldehyde Hydrate),

Complexity	956
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	450.205g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	450.503g/mol
Monoisotopic Mass	450.205g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited