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Metyrapone

CAT: 0957-S5416-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S5416-01Size:25 mg
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Description
Metyrapone (NSC-25265, SU-4885) is an inhibitor of the enzyme steroid 11-beta-monooxygenase (CYP11B1) that inhibits adrenal steroid synthesis.
CAS Number
54-36-4
Synonyms
NSC-25265, SU-4885
Target
P450 (e.g. CYP17)
Activity
Metabolism
Molecular Formula
C14H14N2O
Storage Conditions
3 years -20°C powder

Chemical Information

Metyrapone

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.

CAS Number54-36-4
PubChem CID4174
IUPAC Name2-methyl-1,2-dipyridin-3-ylpropan-1-one
Molecular FormulaC14H14N2O
Molecular Weight226.27
XLogP2
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity275
SMILES
CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKey
FJLBFSROUSIWMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metyrapone
CAS: 54-36-4
CID: 4174
Formula: C14H14N2O
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.110613074
Monoisotopic Mass226.110613074
Topological Polar Surface Area42.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
456174-01Metyrapone

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