Basic information
- CAS
10106-41-9- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C- InChIKey
AAPZMQVULRVUEU-PYAFTSMNSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932405
Names & identifiers
- Preferred name
- 9,11-Dehydrodexamethasone acetate
- IUPAC
- [2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate
- Molecular formula
- C24H30O5
- Molecular weight
- 398.49
Names & synonyms
10106-41-99,11-Dehydrodexamethasone acetateDexamethasone EP Impurity HAOW1NH1RMD2-((8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate17,21-Dihydroxy-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate[2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate17-alpha,21-Dihydroxy-16-alpha-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate17-Hydroxy-16alpha-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl Acetate(16alpha)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dioneUNII-AOW1NH1RMD17,21-Dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate
Show more names
Pregnatriene acetateDexamethasone EP Imp HDexamethasone impurity H2-((8S,10S,13S,14S,16R,17R)-17Dexamethasone Acetate Impurity H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 880
Physicochemical properties
- Melting point
- 210 · 210-213 °C
- Boiling point
- 560 · 560.0±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 12.48 · 12.48±0.70(Predicted)
- form
- Solid
- color
- White to Yellow
- Major Application
- pharmaceutical
- SMILES
- C[C@@]12[C@](C[C@@H](C)[C@]2(O)C(COC(C)=O)=O)([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)C3=CC1)=O
- FDA UNII
- 1 NH1RMD · AOW1NH1RMD
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate is an intermediate in the synthesis of Mometasone Furoate (M490000), a tropical corticosteroid used as an anti-inflammatory agent.
Upstream & downstream products
Upstream raw materials
Suppliers71 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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