AG003AX4

638-94-8 | (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

AG003AX4

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CAS Number	638-94-8
Catalog Number	AG003AX4(AGN-PC-0TAEZK)
Chemical Name	(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
EC Number	211-351-6
IUPAC Name	(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-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/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChI Key	WBGKWQHBNHJJPZ-LECWWXJVSA-N
MDL Number	MFCD00866151
Molecular Formula	C24H32O6
Molecular Weight	416.5073
SMILES	O=C(C=C[C@@]12C)C=C1CC[C@@]([C@]2([H])[C@@H](O)C[C@@]34C)([H])[C@]3([H])C[C@@]5([H])[C@@]4(C(CO)=O)OC(C)(C)O5
UNII	J280872D1O
Synonyms	Desocort, Desone, Desonide, Desowen, Locapred, Locatop, Prednacinolone, Tridésonit, Tridesilon, DESONIDE, 638-94-8, Prednacinolone, Locapred, Tridesilon, Topifug, Desonate, Desonida, Desonidum, Desilux, DesOwen, Tridesonit, Hamiltoderm, Flusemidon, Prenacid, Reticus, Steroderm, Verdeso, Zotinar, Apolar, Sterax, D-2083, UNII-J280872D1O, Desonidum [INN-Latin], Desonida [INN-Spanish], CHEBI:204734, Desonide [USAN:INN:BAN], J280872D1O, D2083, DSSTox_CID_26756, DSSTox_RID_81880, DSSTox_GSID_46756, 16-alpha-Hydroxyprednisole-16,17-acetonide, D 2083, EINECS 211-351-6, CAS-638-94-8, Desowen (TN), Verdeso (TN), 11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone, Desonide (USAN/INN), desfluorotriamcinolone acetonide, NCGC00167983-01, NCGC00274065-01, Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-, Prednisolone-16,17-acetonide, 16-alpha-hydroxy-, 16alpha-hydroxyprednisole-16,17-acetonide, Locapred;Topifug;Tridesilon, 16alpha,17alpha-isopropylidenedioxyprednisolone, SCHEMBL3631, 16alpha-hydroxyprednisolone-16alpha,17-acetonide, GTPL7066, CHEMBL1201109, DTXSID7046756, WBGKWQHBNHJJPZ-LECWWXJVSA-N, HMS3715P20, BCP04201, HY-B0248, ZINC4212851, Tox21_112603, MFCD00866151, s1701, Tox21_112603_1, CCG-221279, CS-2228, DB01260, 11beta,21-dihydroxy-16alpha,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, 11beta,21-dihydroxy-16alpha,17-isopropylidenedioxypregna-1,4-diene-3,20-dione, 11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-1,4-diene-3,20-dione, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, AS-13892, CC-26356, K016, SC-17104, AB2000229, TL8004516, D03696, AB01274712-01, AB01274712_02, 638D948, C-22009, Q-101382, BRD-K21528677-001-03-6, 16?,17-[1-Methylethylidenebis(oxy)]-11?,21-dihydroxypregna-1,4-diene-3,20-dione, (11ss,16alpha)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione, (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0;{2,9}.0;{4,8}.0;{13,18}]icosa-14,17-dien-16-one, 16alpha,17-[1-Methylethylidenebis(oxy)]-11beta,21-dihydroxypregna-1,4-diene-3,20-dione (Desonide), Desocort, Locatop, Desone, Otic Tridesilon, budesonide acetonide, Verdeso Foam (TN), D02JNM, Desonide [USAN:BAN:INN], C24H32O6, ACN-048840, C24-H32-O6, CID5311066, CS-O-01410, Locapred, Topifug, Tridesilon, Desonide, B2158, 16-alpha,17-alpha-isopropylidenedioxyprednisolone, D003898, (11-beta,16-alpha)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, 11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone, Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11.beta.,16.alpha.)-, Pregna-1,4-diene-3,20-dione, 11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone,

Complexity	873
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	416.22g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	416.514g/mol
Monoisotopic Mass	416.22g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	93.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number