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Substance Name: Deoxycholic acid [USAN:INN]
RN: 83-44-3
UNII: 005990WHZZ
InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N

Note

  • A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.

Molecular Formula

  • C24-H40-O4

Molecular Weight

  • 392.576
 

Classification Codes

  • Cholagogues and Choleretics
  • Gastrointestinal Agents
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Names and Synonyms

Results Name

  • Deoxycholic acid [USAN:INN]

Name of Substance

  • Deoxycholic acid
  • Deoxycholic acid [USAN:INN]
  • Desoxycholic acid [NF]

MeSH Heading

  • Deoxycholic acid

Synonyms

  • 17-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol
  • 3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)-
  • 3,12-Dihydroxycholanic acid
  • 3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid
  • 3-alpha,12-alpha-Dihydroxycholansaeure
  • 3-alpha,12-alpha-Dihydroxycholansaeure [German]
  • 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid
  • 3alpha,12alpha-Dihydroxy-5beta-cholanic acid
  • 4-10-00-01608 (Beilstein Handbook Reference)
  • 5-beta-Deoxycholic acid
  • 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-
  • 7alpha-Deoxycholic acid
  • ATX 101
  • ATX-101
  • ATX101
  • BRN 3219882
  • CCRIS 1627
  • Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)-
  • Choleic acid
  • Cholerebic
  • Cholic acid, deoxy-
  • Cholorebic
  • Degalol
  • Deoxy cholic acid
  • Deoxycholatic acid
  • Deoxycholic acid
  • Desoxycholic acid
  • Desoxycholsaeure
  • Desoxycholsaeure [German]
  • Dihydroxycholanoic acid
  • Droxolan
  • EINECS 201-478-5
  • HSDB 293
  • Kybella
  • l7-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol
  • NSC 8797
  • Pyrochol
  • Septochol
  • UNII-005990WHZZ

Systematic Names

  • 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid
  • 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-
  • 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy- (8CI)
  • Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)- (9CI)
  • Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-
  • Deoxycholic acid

Superlist Name

  • Deoxycholic acid

Registry Numbers

CAS Registry Number

  • 83-44-3

FDA UNII

  • 005990WHZZ

Other Registry Number

  • 728917-93-9

Related Registry Numbers

  • 302-95-4 (mono-hydrochloride salt))
  • 71888-65-8 (magnesium (2:1) salt)

System Generated Number

  • 0000083443

Structure Descriptors

InChI

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

InChIKey

KXGVEGMKQFWNSR-LLQZFEROSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970.
mouse LD50 oral 1gm/kg (1000mg/kg)   Nara Igaku Zasshi. Journal of the Nara Medical Association. Vol. 33, Pg. 71, 1982.
rabbit LDLo intravenous 2gm/kg (2000mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926.
rat LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL) Nara Igaku Zasshi. Journal of the Nara Medical Association. Vol. 33, Pg. 71, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 177 deg C   EXP
log P (octanol-water) 3.5 (none)   EXP
Water Solubility 43.6 mg/L 20 EXP
Vapor Pressure 3.00E-13 mm Hg 25 EST
Henry's Law Constant 1.41E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.28E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.