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Methylprednisolone

PubChem CID: 6741

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Compound Synonyms methylprednisolone, 83-43-2, Medrol, Metilprednisolone, Medrone, 6alpha-Methylprednisolone, Metilbetasone, Medrate, Urbason, Dopomedrol, Medesone, Mesopren, Metastab, Metrisone, Noretona, Promacortine, Urbasone, Besonia, Moderin, Solomet, Wyacort, Methylprednisolon, Sieropresol, Suprametil, Esametone, Firmacort, Medixon, Metrocort, Metysolon, Nirypan, Reactenol, Lemod, Artisone-wyeth, Medrol dosepak, Methyleneprednisolone, Metilprednisolona, Medrol adt pak, Predni N Tablinen, 6-alpha-Methylprednisolone, delta(1)-6alpha-Methylhydrocortisone, NSC-19987, 1-Dehydro-6alpha-methylhydrocortisone, Methylprednisolonum, Metilprednisolone [DCIT], Summicort, Prednisolone, methyl-, Methylprednisolonum [INN-Latin], Metilprednisolona [INN-Spanish], 6-methyl-prednisolone, Prednisolone, 6alpha-methyl-, CHEBI:6888, HSDB 3127, EINECS 201-476-4, 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 6alpha-Methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione, UNII-X4W7ZR7023, BRN 2340300, DTXSID7023300, delta(sup 1)-6-alpha-Methylhydrocortisone, U-67,590A, X4W7ZR7023, U 7532, 6alpha-methyl prednisolone, (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one, J3.872E, Methylprednisolone, 6-alpha, 11beta,17alpha,21-Trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione, Methylprednisolone (Standard), (6alpha,11beta)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione, MLS000028541, MLS001148159, DTXCID903300, (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, EC 201-476-4, 4-08-00-03498 (Beilstein Handbook Reference), NSC19987, MEPRDL, Medlone 21, Methylprednisolone [USP:INN:BAN:JAN], Metipred, SMR000058330, Summicort, , 6alpha-Methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione, NEO-MEDROL COMPONENT METHYLPREDNISOLONE, Prednol- L, Methylprednisolonum (INN-Latin), Metilprednisolona (INN-Spanish), Depo-Medrol (acetate), METHYLPREDNISOLONE (MART.), METHYLPREDNISOLONE [MART.], METHYLPREDNISOLONE (USP-RS), METHYLPREDNISOLONE [USP-RS], CAS-83-43-2, Methylprednisolone (USP:INN:BAN:JAN), METHYLPREDNISOLONE (EP MONOGRAPH), METHYLPREDNISOLONE [EP MONOGRAPH], 6?-Methyl Prednisolone, METHYLPREDNISOLONE (USP MONOGRAPH), METHYLPREDNISOLONE [USP MONOGRAPH], 6 Methylprednisolone, MLS002638721, Prednisolone, 6.alpha.-methyl-, Solpredone, Duralone, Meprolone, Prednilen, Radilem, DepMedalone, 6alpha-Methylprednisolone base, Methylprednisole, Medrol Tablets, Veriderm Medrol, Caberdelta M, Depo Moderin, Depo-Nisolone, Methylpred DP, Mega-Star, Prednol-L, Predni-M-Tablinen, .DELTA.1-6.alpha.-Methylhydrocortisone, NCGC00016330-01, Prestwick_622, Medrol (TN), MFCD00010591, Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-, Metilbetasone Solubile, 6-, A-Methylprednisolone, Methylprednisolene Tablets, Opera_ID_1576, Prestwick0_000279, Prestwick1_000279, Prestwick2_000279, Prestwick3_000279, 11-beta,17,21-Trihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-, CHEMBL650, Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6a,11b)-, 6-alpha-methyl prednisolone, 6.alpha.-Methylprednisolone, SCHEMBL5084, BSPBio_000158, MLS002207191, SPBio_002377, METHYLPREDNISOLONE [MI], BPBio1_000174, GTPL7088, METHYLPREDNISOLONE [INN], METHYLPREDNISOLONE [JAN], HY-B0260R, METHYLPREDNISOLONE [HSDB], METHYLPREDNISOLONE [VANDF], HMS1568H20, HMS2090B13, HMS2095H20, HMS2230D16, HMS3259J04, HMS3712H20, 6alpha-Methylprednisolone, >=98%, METHYLPREDNISOLONE [WHO-DD], HY-B0260, Tox21_110376, Tox21_302018, BDBM50103616, LMST02030178, Methylprednisolone (JP17/USP/INN), s1733, AKOS015969744, Pregna-1,4-diene-3,20-dione, 6-alpha-methyl-11-beta-17,21-trihydroxy-, Tox21_110376_1, CCG-220279, DB00959, FM25546, KS-1273, METHYLPREDNISOLONE [GREEN BOOK], NC00691, METHYLPREDNISOLONE [ORANGE BOOK], NCGC00022735-03, NCGC00022735-06, NCGC00255269-01, NCI60_001657, CS-0694768, M1665, NS00000345, C16437, D00407, EN300-7414014, METHYLPREDNISOLONE COMPONENT OF NEO-MEDROL, Q417222, SR-01000003089, SR-01000003089-2, BRD-K35240538-001-03-1, BRD-K35240538-001-11-4, BRD-K35240538-001-26-2, 6-alpha-Methylprednisolone 100 microg/mL in Acetonitrile, METHYLPREDNISOLONE ACETATE IMPURITY B [EP IMPURITY], 6alpha-Methylprednisolone, VETRANAL(TM), analytical standard, 1,4-pregnadien-6alpha-methyl-11beta, 17, 21-triol-3, 20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione, Methylprednisolone, British Pharmacopoeia (BP) Reference Standard, Methylprednisolone, European Pharmacopoeia (EP) Reference Standard, Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-, Pregna-1,20-dione, 6.alpha.-methyl-11.beta.-17,21-trihydroxy-, (6a,11b)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione, 11beta,17alpha,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, METHYLPREDNISOLONE HYDROGEN SUCCINATE IMPURITY A [EP IMPURITY], Methylprednisolone, United States Pharmacopeia (USP) Reference Standard, Methylprednisolone for system suitability A, EuropePharmacopoeia (EP) Reference Standard, Methylprednisolone, Pharmaceutical Secondary Standard, Certified Reference Material, Pregna-1,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-, Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6I+/-,11I(2))-, (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, (6a,11b)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione, Medrone, Medrol, 6a-Methylprednisolone, 201-476-4
Topological Polar Surface Area 94.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 754.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Uniprot Id P02768, P06536, P04150, Q16665, Q194T2, n.a., Q16236, O15648, Q9UIF8, P15207, O75496, O75874, Q9NPD5, Q9Y6L6, Q9NR56, Q9R1A7, O75469, O95342, Q92887, O15438, O15439, P0DTD1, P10275
Iupac Name (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Prediction Hob 1.0
Target Id NPT211, NPT249, NPT543, NPT713, NPT1028
Xlogp 1.9
Molecular Formula C22H30O5
Prediction Swissadme 1.0
Inchi Key VHRSUDSXCMQTMA-PJHHCJLFSA-N
Fcsp3 0.7272727272727273
Logs -3.789
Rotatable Bond Count 2.0
Logd 2.103
Compound Name Methylprednisolone
Prediction Hob Swissadme 1.0
Exact Mass 374.209
Formal Charge 0.0
Monoisotopic Mass 374.209
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 374.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Esol -3.258257400000001
Inchi InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
Smiles C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Apocynum Venetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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