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Substance Name: Sodium deoxycholate
RN: 302-95-4
UNII: 436LS6U35Y
InChIKey: FHHPUSMSKHSNKW-SMOYURAASA-M

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.Na

Molecular Weight

  • 414.5581
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Sodium deoxycholate

Synonyms

  • 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt
  • ATX 101
  • ATX-101
  • CCRIS 655
  • Deoxycholate sodium
  • Deoxycholic acid sodium salt
  • Desoxycholate sodium
  • Dihydroxy 3-12 cholanate de Na
  • Dihydroxy 3-12 cholanate de Na [French]
  • EINECS 206-132-7
  • Na-Desoxycholat
  • Na-Desoxycholat [German]
  • Natrium-3-alpha,12-alpha-dihydroxycholanat
  • Natrium-3-alpha,12-alpha-dihydroxycholanat [German]
  • Sodium 7-deoxycholate
  • Sodium deoxycholate
  • Sodium deoxycholic acid
  • Sodium desoxycholate
  • UNII-436LS6U35Y

Systematic Names

  • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI)
  • 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt
  • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI)
  • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-
  • Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3alpha,5beta,12alpha)-
  • Deoxycholic acid, sodium salt
  • Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 302-95-4

FDA UNII

  • 436LS6U35Y

Other Registry Numbers

  • 1089720-51-3
  • 98805-61-9

Related Registry Number

  • 83-44-3 (Parent)

System Generated Number

  • 0000302954

Molecular Formulas

Molecular Formula

  • C24-H40-O4.Na

Molecular Formula Fragments

  • C24-H40-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1

InChIKey

FHHPUSMSKHSNKW-SMOYURAASA-M

Smiles

C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 29, 1985.
mouse LD50 intravenous 107mg/kg (107mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 90, Pg. 18, 1952.
mouse LD50 oral 1050mg/kg (1050mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 29, 1985.
mouse LD50 subcutaneous 815mg/kg (815mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 45, 1969.
rabbit LDLo intravenous 15mg/kg (15mg/kg) BLOOD: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

CARDIAC: OTHER CHANGES
Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926.
rat LD50 intraperitoneal 123mg/kg (123mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 45, 1969.
rat LD50 intravenous 150mg/kg (150mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970.
rat LD50 oral 1370mg/kg (1370mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 45, 1969.
rat LD50 subcutaneous 2430mg/kg (2430mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 45, 1969.