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Home > Encyclopedia > Montelukast 1,2-Diol

Montelukast 1,2-Diol

Montelukast 1,2-Diol structure

Montelukast 1,2-Diol 

structure
  • CAS No:

    186352-97-6

  • Formula:

    C35H36ClNO4S

  • Chemical Name:

    Montelukast 1,2-Diol

  • Synonyms:

    2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;

Montelukast 1,2-Diol Basic Attributes

602.18300

601.2053575

DTXSID00171880

Characteristics

115.95000

7.92040

796.5ºC

435.508ºC

1.69

0mmHg at 25°C

Drug Information

Montelukast 1, 2-Diol is a known human metabolite of montelukast.

Computed Properties

Molecular Weight:602.2
XLogP3:6.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:601.2053575
Monoisotopic Mass:601.2053575
Topological Polar Surface Area:116
Heavy Atom Count:42
Complexity:913
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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