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50-02-2

50-02-2 structural image
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
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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)

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