Cas no 22609-73-0 (Niludipine)

Niludipine structure
Niludipine structure
Product Name:Niludipine
CAS No:22609-73-0
MF:C25H34N2O8
MW:490.546067714691
CID:52112
PubChem ID:89767
Update Time:2025-04-18

Niludipine Chemical and Physical Properties

Names and Identifiers

    • Niludipine
    • Bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • (2-propoxyethyl)ester
    • 1,4-Dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(2-propoxyethyl) ester
    • 5-pyridinedicarboxylicacid,1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-bis
    • bay-a7168
    • bis(2-propoxyethyl)1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedi
    • niludipin
    • Niludipinum
    • Bis(2-propoxyethyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
    • Niludipinum [INN-Latin]
    • CHEMBL2106840
    • Niludipine [INN:BAN]
    • UNII-9844OS3B0J
    • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis(2-propoxyethyl) ester
    • 9844OS3B0J
    • DB09240
    • BRN 0504197
    • 22609-73-0
    • J-014781
    • DTXSID20945267
    • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-, bis(2-propoxyethyl) ester
    • Bis(2-propoxyethyl) 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
    • bis(2-propoxyethyl) 2, 6-dimethyl-4-(3-nitrophenyl)-1, 4-dihydropyridine-3, 5-dicarboxylate
    • VZWXXKDFACOXNT-UHFFFAOYSA-N
    • Bay a-7168
    • Nilupidine
    • EINECS 245-120-6
    • NILUDIPINE [INN]
    • NILUDIPINE [MART.]
    • Niludipina
    • AKOS040753273
    • 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis(2-propoxyethyl) ester
    • Bay a 7168
    • Q7037475
    • BAY-a 7168
    • FT-0630488
    • Niludipina [INN-Spanish]
    • SCHEMBL691639
    • NS00051946
    • (+/-)-Niludipine; BAY-a 7168
    • ()-Niludipine; BAY-a 7168
    • DB-045954
    • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis(2-propoxyethyl)ester
    • NILUDIPINE (MART.)
    • 3,5-bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • Niludipinum (INN-Latin)
    • Niludipina (INN-Spanish)
    • bis(2-propoxyethyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
    • niludipino
    • Inchi： 1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3
    • InChI Key： VZWXXKDFACOXNT-UHFFFAOYSA-N
    • SMILES： O(CCOCCC)C(C1=C(C)NC(C)=C(C(=O)OCCOCCC)C1C1C=CC=C(C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 490.23200
  • Monoisotopic Mass: 490.231516
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 15
  • Complexity: 754
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 129

Experimental Properties

  • Density: 1.2745 (rough estimate)
  • Boiling Point: 585.03°C (rough estimate)
  • Flash Point: 315.1oC
  • Refractive Index: 1.5500 (estimate)
  • PSA: 128.91000
  • LogP: 4.62120

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