3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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CAS No:
39760-19-5
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Formula:
C21H24BrNO6
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Chemical Name:
3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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Synonyms:
39760-19-5;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-, methyl 2-propenyl ester;SCHEMBL11783892;DTXSID10960348;Methyl prop-2-en-1-yl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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CAS No:
3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Basic Attributes
466.3 g/mol
465.07870 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-- | United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3932646 |
Computed Properties
Molecular Weight:466.3
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:465.07870
Monoisotopic Mass:465.07870
Topological Polar Surface Area:83.1
Heavy Atom Count:29
Complexity:716
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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