Sodium chenodeoxycholate

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Names

[ CAS No. ]:
2646-38-0

[ Name ]:
Sodium chenodeoxycholate

[Synonym ]:
sodium sat of chenodeoxycholic acid
Chenodeoxycholate sodium salt
Chenodeoxycholic acid sodium
Chenodeoxycholic acid sodium salt
UNII:6V4571KSKE
sodium chenodexoycholate
5β-Cholanic acid-3α,7α-diol
sodium chenodeoxycholate
sodiumchenodesoxycholate
3α,7α-Dihydroxy-5β-cholanic acid
Chenodeoxycholic acid sodium salt,Chenodesoxycholic acid
ChenodiolChenodesoxycholic acid
chenodesoxycholate de sodium
Sodium (3α,5β,7α)-3,7-dihydroxycholan-24-oate
cenodeoxycholate
Cholan-24-oic acid, 3,7-dihydroxy-, sodium salt, (3α,5β,7α)- (1:1)

Chemical & Physical Properties

[ Boiling Point ]:
547.1ºC at 760mmHg

[ Melting Point ]:
298 °C(dec.)

[ Molecular Formula ]:
C24H39NaO4

[ Molecular Weight ]:
414.55

[ Flash Point ]:
298.8ºC

[ Exact Mass ]:
414.274597

[ PSA ]:
80.59000

[ LogP ]:
3.14320

[ Vapour Pressure ]:
2.98E-14mmHg at 25°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2231000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-, monosodium salt
CAS REGISTRY NUMBER :
2646-38-0
LAST UPDATED :
198508
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C24-H39-O4.Na
MOLECULAR WEIGHT :
414.62

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 11,2499,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1450 mg/kg
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from small intestine Skin and Appendages - hair
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 11,2499,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
114 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 11,2499,1977

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332-H351

[ Precautionary Statements ]:
P280-P281

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
20/21/22-40

[ Safety Phrases ]:
S22;S36

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
FZ2231000

Synthetic Route

Precursor & DownStream

Precursor

  • Chenodeoxycholic acid

DownStream

  • 7-Ketolithocholic acid
  • Chenodeoxycholic acid

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Chenodeoxycholate in females with irritable bowel syndrome-constipation: a pharmacodynamic and pharmacogenetic analysis.

Gastroenterology 139 , 1549, (2010)

Sodium chenodeoxycholate (CDC) accelerates colonic transit in health. Our aim was to examine pharmacodynamics (colonic transit, bowel function) and pharmacogenetics of CDC in constipation-predominant ...

Bile salt/acid induction of DNA damage in bacterial and mammalian cells: implications for colon cancer.

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Related Compounds

  • sodium chenodeoxycholate
  • sodium,(Z)-4-[(2-amino-3-methylbutanoyl)amino]-3-chloro-5-hydroxy-5-oxopent-2-enoate
  • sodium lauroamphoacetate
  • sodium 2,8,8-trimethyl-3-oxo-1,7-diaza-4-oxabicyclo<3.2.1>octane-6-carboxylate
  • sodium 2-ethylhexanolate
  • sodium boron(-1) anion