Dexamethasone acetate monohydrate

Base Information

• Chemical Name: Dexamethasone acetate monohydrate
• CAS No.: 55812-90-3
• Molecular Formula: C24H33FO7
• Molecular Weight: 452.51
• European Community (EC) Number: 611-316-9
• UNII: DWN2WN457X
• DSSTox Substance ID: DTXSID20204402
• Wikidata: Q27276643
• NCI Thesaurus Code: C77414
• Mol file: 55812-90-3.mol

Synonyms:55812-90-3;Dexamethasone acetate monohydrate;UNII-DWN2WN457X;Dexamethasone acetate hydrate;DWN2WN457X;Dexamethason 21-acetat-1-wasser;Dexamethasone 21-acetate monohydrate;Dexamethasone acetate [USAN:USP:BAN:JAN];Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11, 17-dihydroxy-16-methyl, monohydrate, (11 beta, 16 alpha);9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate, monohydrate;Dexamethasone acetate (JAN/USP);Decadronal (TN);SCHEMBL22527650;DTXSID20204402;DEXAMETHASONE ACETATE [JAN];C24H31FO6 X 2HO;DEXAMETHASONE ACETATE [USAN];dexamethasone -21-acetate monohydrate;AKOS040744765;C24-H31-F-O6.2H-O;D02174;DEXAMETHASONE ACETATE MONOHYDRATE [WHO-DD];DEXAMETHASONE ACETATE MONOHYDRATE [WHO-IP];DEXAMETHASONE ACETATE MONOHYDRATE [ORANGE BOOK];DEXAMETHASONI ACETAS MONOHYDRATE [WHO-IP LATIN];Q27276643;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;hydrate;Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-flouro-11,17-dihydroxy-16-methyl-, monohydrate,(11.beta.,16.alpha.)-;PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-, MONOHYDRATE;Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, monohydrate, (11.beta.,16.alpha.)-

Chemical Property of Dexamethasone acetate monohydrate

Chemical Property:

• Vapor Pressure: 1.16E-18mmHg at 25°C
• Boiling Point: 632.6 °C at 760 mmHg
• Flash Point: 336.4 °C
• PSA: 110.13000
• LogP: 2.40220
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 452.22103155
• Heavy Atom Count: 32
• Complexity: 910

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C.O
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C.O
• Recent ClinicalTrials: Opsoclonus Myoclonus Syndrome/Dancing Eye Syndrome (OMS/DES) in Children With and Without Neuroblastoma (NBpos and NBneg)Opsoclonus Myoclonus Syndrome/Dancing Eye Syndrome (OMS/DES) in Children With and Without Neuroblastoma (NBpos and NBneg)
• Uses: Adrenocortical steroid.