Chenodeoxycholic Acid | CAS No. 474-25-9

Chenodeoxycholic Acid

Basic Information

CAS Number

474-25-9

Molecular Formula

C24H40O4

Molecular Weight

392.58 g/mol

AD

Basic Physical Properties

Melting Point

165-167 °C

Boiling Point

437.26°C (rough estimate)

Flash Point

9℃

Solubility

PRACTICALLY INSOLUBLE

Refractive Index

1.4460 (estimate)

Vapor Pressure

0.0±3.3 mmHg at 25°C

Specific Rotation

12 º (c=1, CHCl3)

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

InChIKey

RUDATBOHQWOJDD-BSWAIDMHSA-N

LogP

4.477900000000004

Topological Polar Surface Area

77.76 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

605

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

  • URSODEOXYCHOLOC ACID
  • 3,7-dihydroxy-,(3-alpha,5-beta,7-alpha)-cholan-24-oicaci
  • 3,7-dihydroxy-,(3alpha,5beta,7alpha)-cholan-24-oicaci
  • 3,7-Dihydroxy-5-Cholanicacid
  • 3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oicaci
  • 3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oicacid
  • 3-alpha,7-alpha-dihydroxycholanicacid
  • 3-alpha,7-alpha-dihydroxycholansaeure
  • (4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • ABAMACHEM ABA-7665421
  • CDCA
  • CHENODEOXYCHOLIC ACID(RG)
  • 3α,7α-Dihydroxy-5β-cholanic Acid
  • 3α,7α-Dihydroxy-5β-cholanic acid
  • 474-
  • 5β-Cholanic Acid-3α,7α-diol
  • Anthropodesoxycholic acid
  • anthropododesoxycholicacid
  • Chendiol
  • chendol
  • Chenic acid
  • Chenix
  • Chenocol
  • Chenodex
  • Fluibil
  • Gallodesoxycholic acid
  • Hekbilin
  • Kebilis
  • Ulmenide
  • Chenodiol
  • 3alpha,7alpha-Dihydroxy-5beta-cholanic acid

MDL Number

MFCD00064142

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