AG0036GU

82034-46-6 | (11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester

AG0036GU

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CAS Number	82034-46-6
Catalog Number	AG0036GU(AGN-PC-0ULD1Q)
Chemical Name	(11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester
IUPAC Name	chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
InChI	InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1
InChI Key	DMKSVUSAATWOCU-HROMYWEYSA-N
MDL Number	MFCD00870765
Molecular Formula	C24H31ClO7
Molecular Weight	466.9517
SMILES	O=C([C@]1(OC(OCC)=O)CC[C@@]2([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)=O)OCCl
UNII	YEH1EZ96K6
Synonyms	17-ethoxycarbonyloxy-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate, Chloromethyl, Alrex, CEHOAC, Chloromethyl 17 ethoxycarbonyloxy 11 hydroxy 3 oxoandrosta 1,4 diene 17 carboxylate, chloromethyl 17-ethoxycarbonyloxy-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate, Etabonate, Loteprednol, Lotemax, loteprednol, loteprednol etabonate, Loteprednol etabonate, Lotemax, Alrex, 82034-46-6, HGP-1, Inveltys, UNII-YEH1EZ96K6, P-5604, CDDD-5604, YEH1EZ96K6, Loteflam, CHEBI:31784, chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate, DSSTox_CID_26468, DSSTox_RID_81641, HGP 1, DSSTox_GSID_46468, C24H31ClO7, chloromethyl 17alpha-[(ethoxycarbonyl)oxy]-11beta-hydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate, CDDD 5604, Loterox, Locort, Lotemax (TN), Loteprednol etabonate Opphthalmic suspension, CAS-82034-46-6, P 5604, Alrex;Lotemax, Loteprednol etabonate (JAN/USAN), NCGC00164594-01, Chloromethyl 11beta,17-dihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate, 17-(ethyl carbonate), Loteprednol-etabonate, IDR-90102, IDR-90103, AC1L9FKJ, SCHEMBL23907, MLS001424221, GTPL7085, CHEMBL1200865, DTXSID2046468, DMKSVUSAATWOCU-HROMYWEYSA-N, HMS2051F16, HMS2232J09, HMS3715N06, Loteprednol etabonate [USAN:JAN], Androsta-1,4-diene-17-carboxylic acid, 17-((ethoxycarbonyl)oxy)-11-hydroxy-3-oxo-, chloromethyl ester, (11beta,17alpha)-, BCP28645, ZINC3920673, Tox21_112219, s1669, AKOS005145741, Tox21_112219_1, CCG-101041, CS-0900, GS-3599, NC00291, Loteprednol Etabonate, >=98% (HPLC), NCGC00164594-02, HY-17358, K462, SMR000469178, AB2000207, ST24030829, D01689, AB00698349-05, AB00698349-07, AB00698349_08, 034L466, chloromethyl (1S,2R,10S,11S,14R,15S,17S)-14-[(ethoxycarbonyl)oxy]-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-14-carboxylate, chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carb, loteprednol, Lenoxin, Zylet, OXYLATE, D0X6GN, Loteprednol etabonate [USAN], C24-H31-Cl-O7, Copper(II) trifluoromethanesulfonate, CID444025, Alrex, Lotemax, Loteprednol etabonate, ACN-053788, CS-O-30633, B2106, 129260-79-3, 34946-82-2, chloromethyl 17-alpha-ethoxycarbonyloxy-11beta-hydroxyandrosta-1,4-diene-3-one-17-beta-carboxylate,

Complexity	882
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	466.176g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	466.955g/mol
Monoisotopic Mass	466.176g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	99.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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