Basic information
- CAS
5060-55-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
RBJROVWIRLFZFC-PNLFXGMVSA-N- Molecular formula
- C41H64O8
- Average molar mass
- 684.9 g/mol
- Monoisotopic mass
- 684.460119
Overview
Prednisolone steaglate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Prednisolone Steaglate
- IUPAC
- [2-[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-oxoethoxy]-2-oxoethyl] octadecanoate
- English name
- prednisolone steaglate
- Molecular formula
- C41H64O8
- Molecular weight
- 684.94
Names & synonyms
Prednisolone steaglateSintisone5060-55-9Prednisolone 21-stearoylglycolateSteaglate de prednisoloneEsteaglato de prednisolonaPrednisoloni steaglasPrednisolone steaglatoOZQ2XN817FDTXSID3023504RefChem:868419prednisolonstearoyl glycolate
Show more names
21-StearoylglycolatePrednisolone 21-steroylglycolate11β,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]-, (11β)-[2-[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-oxo-ethoxy]-2-oxo-ethyl] octadecanoatestearic acid [2-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-2-keto-ethyl] ester
DTXCID903504pregna-1,4-diene-3,20-dione-11 beta,17 alpha,21-triol-21-stearoylglycolate(11beta)-11,17-Dihydroxy-21-((((1-oxooctadecyl)oxy)acetyl)oxy)pregna-1,4-diene-3,20-dione225-763-9[2-[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-oxoethoxy]-2-oxoethyl] octadecanoateUNII-OZQ2XN817FPrednisoloni steaglas [INN]Prednisolone steaglato [DCIT]
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Melting point
- 105 · 105-107°
- alpha
- 20 · D20 +57-63°
- Boiling point
- 768.9 · 768.9±60.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 12.29 · 12.29±0.70(Predicted)
- FDA UNII
- 2 XN817F · OZQ2XN817F
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 360 · H360-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.2% (1 of 31) of reports.
Danger
H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 31 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (96.8%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H360-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Additional notes
DefinitionChEBI: Prednisolone steaglate is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…