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Home > Encyclopedia > (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride

(3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride

(3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride structure

(3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride 

structure
  • CAS No:

    99390-77-9

  • Formula:

    C30H37ClN2O6

  • Chemical Name:

    (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride

  • Synonyms:

    hydrochloride; Nikoshpan; 2-Pyridinecarboxylic acid,mixt. with 1-((3,4-diethoxyphenyl)methylene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride; Nicospan; (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline;

(3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride Basic Attributes

557.07800

556.2340146

Characteristics

99.14000

6.87880

567.1ºC

241.6ºC

Drug Information

nicospan

Computed Properties

Molecular Weight:557.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:556.2340146
Monoisotopic Mass:556.2340146
Topological Polar Surface Area:99.1
Heavy Atom Count:39
Complexity:625
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

Guide of (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline,pyridine-3-carboxylic acid,hydrochloride

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