AG00JNYJ

2921-57-5 | (6α,11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione

AG00JNYJ

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CAS Number	2921-57-5
Catalog Number	AG00JNYJ(AGN-PC-0R4VYK)
Chemical Name	(6α,11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
EC Number	220-863-9
IUPAC Name	4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
InChI	InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1
InChI Key	IMBXEJJVJRTNOW-XYMSELFBSA-N
MDL Number	MFCD00271782
Molecular Formula	C26H34O8
Molecular Weight	474.5434
SMILES	C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(COC(CCC(O)=O)=O)=O)O)[H]
UNII	5GMR90S4KN
Synonyms	6 alpha-Methylprednisolone Sodium Hemisuccinate, A-MethaPred, Hemisuccinate, Methylprednisolone, Methylprednisolone Hemisuccinate, Methylprednisolone Hemisuccinate Monosodium Salt, Methylprednisolone Sodium Hemisuccinate, Methylprednisolone Sodium Succinate, Methylprednisolone Succinate, Sodium Hemisuccinate, Methylprednisolone, Sodium Succinate, Methylprednisolone, Solu-Medrol, Solumedrol, Succinate, Methylprednisolone, Urbason-Soluble, UrbasonSoluble, METHYLPREDNISOLONE HEMISUCCINATE, 2921-57-5, Methylprednisolone succinate, Solumedrol, UNII-5GMR90S4KN, Methylprednisolone Hemisuccinate [USP], Solu-Medrol, C26H34O8, EINECS 220-863-9, 5GMR90S4KN, Methylprednisolone hydrogen succinate, METHYLPREDNISOLONE SODIUM SUCCINATE, 6alpha-Methylprednisolone hemisuccinate, 4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid, Methylprednisolone sodium hemisuccinate, 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(hydrogen succinate), Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-, Urbason-Soluble, Methylprednisolone hemisuccinate (USP), NCGC00185763-01, EC 220-863-9, AC1L28YL, SCHEMBL7915, Meghylprednisolone hemisuccinate, CHEMBL1201265, CTK8G1090, DTXSID80183466, CHEBI:135765, HY-B1900, ZINC3977781, Methylprednisolone succinate (JP17), AKOS015894899, CS-8183, Methylprednisolone hydrogen hemisuccinate, AJ-47556, AK-94859, I038, 6alpha-Methylprednisolone 21-hemisuccinate, Methylprednisolone 21-(hydrogen succinate), LS-118430, D05000, 921M575, A819819, C-22742, (2R)-2-Mercaptomethyl-4-methylpentanoyl-Phe-Ala amide, Methylprednisolone Sodium Succinate (methylprednisolone 21-(hydrogen succinate)), 4-(2-((6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy)-4-oxobutanoic acid, 4-oxidanylidene-4-[2-oxidanylidene-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethoxy]butanoic acid, Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-,(6-alpha,11-beta)-, Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, (6a,11b)-, A-Methapred, UrbasonSoluble, Succinate, Methylprednisolone, Methylprednisolonehemisuccinate, Hemisuccinate, Methylprednisolone, 6?-Methylprednisolone hemisuccinate, CID16923, Sodium Succinate, Methylprednisolone, ACN-037581, C26-H34-O8, CS-O-01851, Sodium Hemisuccinate, Methylprednisolone, 6 alpha-Methylprednisolone Sodium Hemisuccinate, Methylprednisolone Hemisuccinate Monosodium Salt, D008776, Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-(hydrogen succinate), Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-, Pregna-1,4-dieno-, 20-diona 3, 21-(3-carboxi-1-oxopropoxi)-11,17-dihidroxi-6-metil-, (6alfa, 11beta)-,

Complexity	981
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	474.225g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	474.55g/mol
Monoisotopic Mass	474.225g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317-H319
Packing Group	\N
Precautionary statements	P411+P235-P280-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number