Compound: metyrapone
SMILES: O=C(c1cnccc1)C(c2cnccc2)(C)C
InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N
Synonyms: metyrapone, 54-36-4, Metopirone, Methopyrapone, Metopiron, Methapyrapone, Methopirapone, Methopyrinine, Methopyrone, Metopyrone, Metyrapon, Methbipyranone, Mepyrapone, Metirapona, Metyraponum, 1-Propanone, 2-methyl-1,2-di-3-pyridinyl-, 2-methyl-1,2-di(pyridin-3-yl)propan-1-one, 2-Methyl-1,2-di-3-pyridinyl-1-propanone, 2-Methyl-1,2-bis(3-pyridyl)-1-propanone, 2-methyl-1,2-bis(pyridin-3-yl)propan-1-one, DTXSID1023314, 1-Propanone, 2-methyl-1,2-di-3-pyridyl-, ZS9KD92H6V, NSC-25265, 1-Propanone, 1,2-di-3-pyridyl-2-methyl-, DTXCID803314, CHEBI:44241, NSC25265, RefChem:57627, V04CD01, 200-206-2, 2-Methyl-1,2-di-3-pyridyl-1-propanone, Metroprione, 2-methyl-1,2-dipyridin-3-ylpropan-1-one, Metapirone, Metapyron, Su 4885, NSC 25265, MFCD00006397, CHEMBL934, CAS-54-36-4, NCGC00016242-01, Metyraponum [INN-Latin], Metirapona [INN-Spanish], MYT, SMR000059134, 1,2-Di-3-pyridyl-2-methyl-1-propanone, HSDB 2500, METOPIRONE (TN), EINECS 200-206-2, UNII-ZS9KD92H6V, Metyrapone [USAN:USP:INN:BAN:JAN], Metyrapone (Standard), METYRAPONE [MI], METYRAPONE [INN], METYRAPONE [JAN], 2-methyl-1,2-bis(3-pyridyl)propan-1-one, Prestwick0_000904, Prestwick1_000904, Prestwick2_000904, Prestwick3_000904, METYRAPONE [HSDB], METYRAPONE [USAN], 2-methyl-1,2-dipyridin-3-yl-propan-1-one, METYRAPONE [VANDF], METYRAPONE [MART.], METYRAPONE [USP-RS], METYRAPONE [WHO-DD], BIDD:PXR0082, BSPBio_000748, MLS001066377, MLS001335881, MLS001335882, SCHEMBL637432, SPBio_002947, 1-Propanone,2-di-3-pyridyl-, BPBio1_000824, GTPL5224, Metyrapone (JP18/USP/INN), orb1310750, METYRAPONE [ORANGE BOOK], SCHEMBL29462551, SCHEMBL29917903, 1-Propanone,2-di-3-pyridinyl-, HY-B1232R, HMS1570F10, HMS2094I07, HMS2097F10, HMS2235E16, HMS3259O05, HMS3371B16, HMS3714F10, HMS3742E21, HMS3869K13, HMS5084O20, METYRAPONE [USP MONOGRAPH], Pharmakon1600-01506014, EX-A1403, HY-B1232, Tox21_110323, BDBM50028166, EBC-26244, NSC760076, s5416, AKOS015919707, Metyrapone, >=98% (HPLC), solid, Tox21_110323_1, CCG-213598, CS-4879, DB01011, NC00462, NSC-760076, MSK168082-1000A, NCGC00016242-02, NCGC00016242-03, NCGC00016242-05, NCGC00161837-01, AS-56195, 2-methyl-1,2-di(3-pyridyl)propan-1-one, DB-052546, AB00513955, EU-0009322, NS00010555, ST51006925, 2-Methyl-1,2-di(3-pyridinyl)-1-propanone #, C07205, D00410, D70339, 2-Methyl-1,2-di-3-pyridyl-1-propanone, 96%, AB00513955_07, Metyrapone Solution in Acetonitrile, 1000ug/mL, EN300-18532278, Q821641, SR-01000765398, SR-01000765398-2, BRD-K46862739-001-03-6, BRD-K46862739-001-13-5, BRD-K46862739-001-14-3, Z2289798161, Metyrapone, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C14H14N2O
molecular_weight: 226.27 g/mol
exact_mass: 226.110613074 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 17
topological_polar_surface_area: 42.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CRYSTALS FROM ETHER & PENTANE
color: CRYSTALS FROM ETHER & PENTANE
odor: CHARACTERISTIC ODOR
solubility: Sparingly soluble
Descriptions:
pubchem: 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.
chebi: 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 11β-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.
chembl: METYRAPONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Metyrapone, sold under the brand name Metopirone, is a medication which is used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushing's syndrome (hypercortisolism). It is part of the steroidogenesis inhibitor class of drugs.