54-36-4
Product Name:
METYRAPONE
Formula:
C14H14N2O
Synonyms:
2-Methyl-1,2-di-3-pyridyl-1-propanone;Metyrapone;Su-4885
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS FROM ETHER & PENTANE |
| Odor | CHARACTERISTIC ODOR |
| Melting Point | 50.5 °C |
| Solubility | >33.9 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.8 |
| Stability/Shelf Life | PROTECT TABLETS FROM EXCESSIVE HEAT & LIGHT TO PREVENT DISCOLORATION & DEGRADATION. |
| Kovats Retention Index | 1860 1860 |
| Other Experimental Properties | FORMS WATER-SOLUBLE SALTS WITH ACIDS |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 226.27 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.110613074 g/mol |
| Monoisotopic Mass | 226.110613074 g/mol |
| Topological Polar Surface Area | 42.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 275 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Metyrapone is an aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency. It has a role as a diagnostic agent, an antimetabolite and an EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor.