50-02-2
Product Name:
Dexamethasone
Formula:
C22H29FO5
Synonyms:
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;9α-Fluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione;9α-Fluoro-16α-methylprednisolone;Dexamethasone - CAS 50-02-2 - Calbiochem;Dexamethasonum
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dexamethazone is an odorless white to off-white crystalline powder with a slightly bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from ether |
| Melting Point | 504 to 507 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| LogP | 1.83 |
| LogS | -3.64 |
| Stability/Shelf Life | Dexamethasone sodium phosphate ophthalmic solution should be stored in tight, light-resistant containers. /Dexamethasone sodium phosphate/ |
| Optical Rotation | Specific optical rotation: +77.5 deg at 25 °C/D (dioxane) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen fluoride/. |
| Caco2 Permeability | -4.75 |
| Collision Cross Section | 187.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystals; specific optical rotation +73 deg AT 25 °C/D (chloroform); max absorption 239 nm (e= 14,900); mp 215-221 °C /21-acetate dexamethasone/ |
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 | 392.5 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 392.19990218 g/mol |
| Monoisotopic Mass | 392.19990218 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 805 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
Dexamethazone is an odorless white to off-white crystalline powder with a slightly bitter taste. (NTP, 1992)