Pinoxaden Metabolite SYN502836 certified

cas: 881376-42-7 — see every product listed under this CAS number, including other names

Pinoxaden Metabolite SYN502836 certified (CAS 881376-42-7) is a chemical reagent available from Chemat. Available pack sizes: 10MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberCRM80876-10MG
cas881376-42-7
size10MG
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Sigma-Aldrich 10MG 509.00 Pln
Structural formula: {0} (CAS {1})

4-(7,9-dioxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)-3,5-diethylbenzoic acid (CAS 881376-42-7) is a chemical compound with the molecular formula C18H22N2O5 and a molecular weight of 346.4 g/mol. IUPAC name: 4-(7,9-dioxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)-3,5-diethylbenzoic acid. InChIKey: PZURTZWDEUDQOT-UHFFFAOYSA-N.

Identity
Molecular formulaC18H22N2O5
Molecular weight346.4 g/mol
IUPAC name4-(7,9-dioxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)-3,5-diethylbenzoic acid
InChIKeyPZURTZWDEUDQOT-UHFFFAOYSA-N
SMILESCCC1=CC(=CC(=C1C2C(=O)N3CCOCCN3C2=O)CC)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 4'Desmethyl-4'Carboxylate Pinoxaden Despivoloyl, starbld0006072, Pinoxaden Metabolite SYN502836
Isomers (same molecular formula)
tert-butyl 2-[(1,3-dioxoisoindol-2-yl)methyl]morpholine-4-carboxylate C18H22N2O5
1-(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid C18H22N2O5
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid C18H22N2O5
(2S,11S)-11-[(2-methylpropan-2-yl)oxycarbonylamino]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxylic acid C18H22N2O5
tert-butyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]carbamate C18H22N2O5
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide C18H22N2O5
pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate C18H22N2O5
ethyl 4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)butanoate C18H22N2O5
ethyl 3-(2-acetamidoethyl)-6-acetyl-5-methoxyindole-1-carboxylate C18H22N2O5
tert-butyl (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]morpholine-4-carboxylate C18H22N2O5
[7-(2,2-dimethylpropanoyloxy)-4-oxo-3H-quinazolin-6-yl] 2,2-dimethylpropanoate C18H22N2O5
6-[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]amino]hexanoic acid C18H22N2O5

Also listed as

Pinoxaden Metabolite SYN502836 Chemat Brand CAS 881376-42-7
4’Desmethyl-4’Carboxylate Pinoxaden Despivoloyl TRC CAS 881376-42-7
Pinoxaden M6 SYN 502836, 100 µg/ml in Acetonitrile, ISO 17034 CRM HPC Standards CAS 881376-42-7