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Methyl lithocholate

Methyl lithocholate structure

Methyl lithocholate 

structure
  • CAS No:

    1249-75-8

  • Formula:

    C25H42O3

  • Chemical Name:

    Methyl lithocholate

  • Synonyms:

    Cholan-24-oic acid,3-hydroxy-,methyl ester,(3α,5β)-;5β-Cholan-24-oic acid,3α-hydroxy-,methyl ester;5β-Cholanic acid,3α-hydroxy-,methyl ester;Lithocholic acid methyl ester;Methyl 3α-hydroxy-5β-cholanoate;Methyl lithocholate;Methyl 3α-hydroxy-5β-cholan-24-oate;NSC 63558;NSC 8116;22574-28-3

Methyl lithocholate Basic Attributes

390.6

390.60

215-002-9

63558|8116

Characteristics

46.53000

5.59550

125-126 °C

Drug Information

lithocholic acid, methyl ester

Methyl lithocholate Use and Manufacturing

Methyl Lithocholate is an derivative of Lithocholic Acid (L469180),a cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.

Computed Properties

Molecular Weight:390.6
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:390.31339520
Monoisotopic Mass:390.31339520
Topological Polar Surface Area:46.5
Heavy Atom Count:28
Complexity:588
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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