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3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate structure

CAS No:
77940-93-3
Formula:
C21H26N2O7
Chemical Name:
3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms:
(S)-nimodipine;UNII-91150Y74PE;91150Y74PE;77940-93-3;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester, (4S)-;Nimodipine, (S)-;S(?)-Nimodipine;CAS-66085-59-4;SCHEMBL34042;BIDD:GT0698;CHEMBL255033;DTXSID90228594;ZINC19632718;NCGC00016910-01;Q27271359;UNII-57WA9QZ5WH component UIAGMCDKSXEBJQ-IBGZPJMESA-N

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3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Basic Attributes

Molecular Weight：

418.4 g/mol

Exact Mass：

418.17400117 g/mol

UNII：

91150Y74PE

DSSTox ID：

DTXSID90228594

Characteristics

PSA：

120 Å²

Computed Properties

Molecular Weight:418.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:418.17400117
Monoisotopic Mass:418.17400117
Topological Polar Surface Area:120
Heavy Atom Count:30
Complexity:736
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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