Molecular Identity
Metyrapone
2-methyl-1,2-dipyridin-3-ylpropan-1-one
PubChem CID: 4174
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.
2D Structure
Properties
C14H14N2O
Molecular Formula
226.27
Molecular Weight
g/mol
226.1106
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
42.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
275
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2Isomeric SMILES
SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2Synonyms(20)
metyrapone54-36-4MetopironeMethopyraponeMetopironMethapyraponeMethopiraponeMethopyrinineMethopyroneMetopyroneMetyraponMethbipyranoneMepyraponeMetiraponaMetyraponum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Metyrapone
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