50-24-8
Product Name:
Prednisolone
Formula:
C21H28O5
Synonyms:
1,4-Pregnadiene-11β,17α,21-triol-3,20-dione;11β,17α,21-Trihydroxy-1,4-pregnadiene-3,20-dione;1-Dehydrocortisol;1-Dehydrohydrocortisone;Prednisolone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals |
| Odor | Odorless |
| Melting Point | 235 °C |
| Solubility | 223 mg/L (at 25 °C) |
| LogP | 1.62 |
| LogS | -3.21 |
| Optical Rotation | Specific optical rotation: +102 deg at 25 °C/D (dioxane); max absorption (methanol): 242 nm (e= 15,000, a= 414, 1%, 1 cm) |
| Collision Cross Section | 183.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystals; decomp at 237-239 °C; specific optical rotation: +116 deg at 25 °C/D (dioxane) /prednisolone 21-acetate/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 360.4 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 360.19367399 g/mol |
| Monoisotopic Mass | 360.19367399 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 724 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Prednisolone is a glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. It has a role as an adrenergic agent, an anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent, a drug metabolite, an environmental contaminant and a xenobiotic. It is a glucocorticoid, an 11beta-hydroxy steroid, a 21-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a C21-steroid. It is functionally related to a Delta(1)-progesterone.