Prednisolone Acetate
PubChem CID: 5834
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| Compound Synonyms | prednisolone acetate, 52-21-1, Omnipred, Prednisolone 21-acetate, Econopred, Pricortin, Prediacortine, Prednidoren, Supercortyl, Cormalone, Cortipred, Deltilen, Durapred, Predicort, Prenema, Meticortelone acetate, Prednelan-N, Delcort-E, Pred Mild, Econopred Plus, Pred Forte, Flo-Pred, Predonine injection, ster, Nisolone, Pred-Forte, Prednisolone (21-acetate), EINECS 200-134-1, NSC 10966, NSC-10966, BRN 3111798, DTXSID3023502, PREDNISOLONE-21-ACETATE, Predalone 50, UNII-8B2807733D, MLS000028512, MLS001148097, CHEBI:8380, DTXCID103502, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 8B2807733D, Prednisolone acetate [USP:JAN], 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate, 4-08-00-03468 (Beilstein Handbook Reference), NSC10966, SMR000058326, PRED-G COMPONENT PREDNISOLONE ACETATE, METIMYD COMPONENT PREDNISOLONE ACETATE, CETAPRED COMPONENT PREDNISOLONE ACETATE, SULPHRIN COMPONENT PREDNISOLONE ACETATE, PREDAMIDE COMPONENT PREDNISOLONE ACETATE, BLEPHAMIDE COMPONENT PREDNISOLONE ACETATE, PREDSULFAIR COMPONENT PREDNISOLONE ACETATE, Inflanefran, ISOPTO CETAPRED COMPONENT PREDNISOLONE ACETATE, NEO-DELTA-CORTEF COMPONENT PREDNISOLONE ACETATE, BLEPHAMIDE S.O.P. COMPONENT PREDNISOLONE ACETATE, Prednisolone acetate (USP:JAN), Ak-Tate, 21-Acetoxy-1,4-pregnadiene-11beta,17alpha-diol-3,20-dione, PREDNISOLONE ACETATE (MART.), PREDNISOLONE ACETATE [MART.], PREDNISOLONE ACETATE (USP-RS), PREDNISOLONE ACETATE [USP-RS], Cetapred Ointment, Pred-G Liquifilm, Vasocidin Ointment, CAS-52-21-1, Blephamide Liquifilm, PREDNISOLONE ACETATE (EP MONOGRAPH), PREDNISOLONE ACETATE (USP IMPURITY), PREDNISOLONE ACETATE [EP MONOGRAPH], PREDNISOLONE ACETATE [USP IMPURITY], PREDNISOLONE ACETATE (USP MONOGRAPH), PREDNISOLONE ACETATE [USP MONOGRAPH], PREDNISOLONE IMPURITY C (EP IMPURITY), PREDNISOLONE IMPURITY C [EP IMPURITY], MFCD00037710, HYDROCORTISONE ACETATE IMPURITY C (EP IMPURITY), HYDROCORTISONE ACETATE IMPURITY C [EP IMPURITY], Prednisolone acetate (Omnipred), METHYLPREDNISOLONE ACETATE IMPURITY E (EP IMPURITY), METHYLPREDNISOLONE ACETATE IMPURITY E [EP IMPURITY], Deltacortilen, Hexacortone, Hydrocortancyl, Prednihexal, Predniocil, Balpred, Deltastab, Diopred, Predaject, Predalone, Predcor, Locaseptil-Neo, Ophtho-Tate, Prednefrin SF, Pred Fort, Key-Pred, Predni-H, Articulose-50, Inf-Oph, Predni-POS, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11.beta.)-, Econopred (TN), Prednisoloni acetas, NCGC00094765-01, prednisolone-acetate, Pred forte (TN), component of Metimyd, Sterane IM and IA, Blephamide S.O.P., component of Composone, Pred Forte TM 1%, Prednisolone Acetate PF, Opera_ID_332, Pred-G S.O.P., SCHEMBL7999, CHEMBL1152, component of Isopto Cetapred, PREDNISONE IMPURITY L, MLS002207146, MLS002548870, component of Neo-Delta-Cortef, HMS2234F18, HMS3259O07, PREDNISOLONE ACETATE [JAN], Prednisolone 21-acetate, >=97%, PREDNISONE IMPURITY L [EP], 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate, BCP18958, HY-B1214, PREDNISOLONE ACETATE [VANDF], Tox21_111328, Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-, 21-acetate, s2570, PREDNISOLONE ACETATE [WHO-DD], PREDNISOLONE ACETATE [WHO-IP], AKOS007930677, AKOS015960469, PREDNISOLONE 21-ACETATE [MI], Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-acetate, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11beta)-, Tox21_111328_1, AC-2176, CCG-268673, CS-4642, DB15566, FP27133, NC00470, Prednisolone acetate (JP17/USP/INN), NCGC00021925-03, NCGC00021925-05, PREDNISOLONE ACETATE [GREEN BOOK], 2-((1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8 .7.0.0<2,7>.0<11,15>]heptadeca-3,6-dien-14-yl)-2-oxoethyl acetate, AS-11673, PREDNISOLONE ACETATE [ORANGE BOOK], PREDNISOLONI ACETAS [WHO-IP LATIN], Prednisolone acetate for peak identification, NS00000181, P1283, C08180, D00980, PREDNISOLONE ACETATE COMPONENT OF PRED-G, AB00443788-11, AB00443788_13, PREDNISOLONE ACETATE COMPONENT OF CETAPRED, PREDNISOLONE ACETATE COMPONENT OF METIMYD, PREDNISOLONE ACETATE COMPONENT OF SULPHRIN, A828982, EN300-19628782, PREDNISOLONE ACETATE COMPONENT OF BLEPHAMIDE, PREDNISOLONE ACETATE COMPONENT OF PREDAMIDE, PREDNISOLONE ACETATE COMPONENT OF PREDSULFAIR, BRD-K45664306-001-19-6, Q27108063, PREDNISOLONE ACETATE COMPONENT OF ISOPTO CETAPRED, PREDNISOLONE ACETATE COMPONENT OF NEO-DELTA-CORTEF, Prednisolone 21-acetate, VETRANAL(TM), analytical standard, PREDNISOLONE ACETATE COMPONENT OF BLEPHAMIDE S.O.P., Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-, 21-acetate, Prednisolone acetate, British Pharmacopoeia (BP) Reference Standard, Prednisolone acetate, European Pharmacopoeia (EP) Reference Standard, (11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate, 11.BETA.,17-DIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ACETATE, Prednisolone acetate, United States Pharmacopeia (USP) Reference Standard, Pregna-1,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11.beta.)-, Prednisolone acetate for peak identification, European Pharmacopoeia (EP) Reference Standard, Prednisolone Acetate, Pharmaceutical Secondary Standard, Certified Reference Material, [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate, 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate, 200-134-1, acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 827.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | Q16665, Q16236, Q9UNA4, P11308, O75874, Q9NPD5, Q9Y6L6, O94782, n.a., P0DTD1, P10275 |
| Iupac Name | [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate |
| Prediction Hob | 1.0 |
| Target Id | NPT211 |
| Xlogp | 2.4 |
| Molecular Formula | C23H30O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LRJOMUJRLNCICJ-JZYPGELDSA-N |
| Fcsp3 | 0.6956521739130435 |
| Logs | -4.104 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.249 |
| Compound Name | Prednisolone Acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 402.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 402.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5834194000000004 |
| Inchi | InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 |
| Smiles | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Glutinosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Caryopteris Glutinosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Litsea Glutinosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Nepeta Glutinosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Salvia Glutinosa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Swinglea Glutinosa (Plant) Rel Props:Reference: