5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Nilvadipene analogue 5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateSupplier View more+

1. Names and Identifiers

1.1 Name: 5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

1.2 Synonyms: 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-methyl 5-(1-methylethyl) ester; 3,5-Pyridinedicarboxylic acid, 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester; 4-(3-Nitrophenyl)-2-formyl-6-methyl-1,4-dihydropyridin-3,5-dicarboxylicacid5-isopropylester3-methylester; 4-(3-Nitrophenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester; 4-(3-NITROPHENYL)-2-FORMYL-6-METHYL-1,4-DIHYDROPYRIDINR-3,5-DICARBOXYLIC ACID 5-ISOPROPYL ESTER 3-METHYL ESTER; 5-Isopropyl 3-methyl 2-formyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 5-isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; Nilvadipine Impurity G;

1.7 Inchi: InChI=1S/C19H20N2O7/c1-10(2)28-19(24)15-11(3)20-14(9-22)17(18(23)27-4)16(15)12-6-5-7-13(8-12)21(25)26/h5-10,16,20H,1-4H3

1.9 Canonical Smiles: CC1=C(C(C(=C(N1)C=O)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

1.10 Isomers Smiles: CC1=C(C(C(=C(N1)C=O)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

2. Properties

3. Use and Manufacturing

3.2 Usage: Nilvadipene analogue 5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateSupplier

4. MSDS

no data available

no data available

5. Synthesis Route

75530-60-8Total: 6 Synthesis Route

99-61-6 327 Suppliers

75530-60-8 13 Suppliers

75530-94-8 2 Suppliers

75530-60-8 13 Suppliers

6. Precursor and Product

precursor:

14205-46-0

60705-25-1

75530-94-8

40100-28-5

99-61-6

67448-15-1

7. Computed Properties

Molecular Weight：388.37g/mol
Molecular Formula：C₁₉H₂₀N₂O₇
Compound Is Canonicalized：True
XLogP3-AA：388.12705098
Monoisotopic Mass：388.12705098
Complexity：733
Rotatable Bond Count：7
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：8
Topological Polar Surface Area：128
Heavy Atom Count：：28
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAUAAAADRyhmAIyyILQRACJAizSywCCAAAgAgAoiAGAZMoIJDKAsbGCMABkkACI6UeY7uiOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==