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Home > Encyclopedia > 5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate structure

5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate 

structure
  • CAS No:

    88594-08-5

  • Formula:

    C21H24N4O12

  • Chemical Name:

    5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

  • Synonyms:

    3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-(nitrooxy)propyl 3-(nitrooxy)propyl ester; CD 349; 2-Nitratopropyl 3-nitratopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-(nitrooxy)propyl 3-(nitrooxy)propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;

5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Basic Attributes

524.43500

524.13907221 g/mol

Characteristics

220.55000

4.00960

1.391g/cm3

666.5ºC at 760 mmHg

356.9ºC

1.56

Drug Information

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)

2-nitratopropyl 3-nitratopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Computed Properties

Molecular Weight:524.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:524.13907221
Monoisotopic Mass:524.13907221
Topological Polar Surface Area:221
Heavy Atom Count:37
Complexity:962
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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