2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
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2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
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CAS No:
98772-05-5
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Formula:
C15H17N3O4
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Chemical Name:
2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
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Synonyms:
1,6-dihydro-2-(2-(2-methylpropoxy)anilino)-6-oxo-5-pyrimidinecarboxylic acid;MAR 99;MAR-99;98772-05-5;Mar 99;BRN 5609020;SCHEMBL15659782;DTXSID20913087;2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid;1,4-Dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-;2-{2-[(Butan-2-yl)oxy]anilino}-4-hydroxypyrimidine-5-carboxylic acid
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CAS No:
2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid Basic Attributes
303.31 g/mol
303.12190603 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | >3 gm/kg | Details of toxic effects not reported other than lethal dose value-- | Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 37,1780,1989 |
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 780 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 37,1780,1989 |
Computed Properties
Molecular Weight:303.31
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:303.12190603
Monoisotopic Mass:303.12190603
Topological Polar Surface Area:100
Heavy Atom Count:22
Complexity:501
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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