Sodium deoxycholate

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Names

[ CAS No. ]:
302-95-4

[ Name ]:
Sodium deoxycholate

[Synonym ]:
Sodium (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Sodium Choleate
desoxycholatesodium
EINECS 206-132-7
deoxycholatesodium
Sodium deoxycholate
SODIUM DESOXYCHOLATE
Deoxycholic acid,sodium salt
OXIDE EXTRACT
SODIUMDISOXYCHOLATE
na-desoxycholat
deoxycholic acid sodium salt
Choleic Acid Sodium Salt
MFCD00064139
sodium7-deoxycholate
Sodium (3α,5β,12α,20R)-3,12-dihydroxycholan-24-oate
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, (3α,5β,12α,20R)- (1:1)

Chemical & Physical Properties

[ Density]:
1.128g/cm3

[ Boiling Point ]:
547.1ºC at 760 mmHg

[ Melting Point ]:
357-365 °C

[ Molecular Formula ]:
C24H39NaO4

[ Molecular Weight ]:
414.554

[ Exact Mass ]:
414.274597

[ PSA ]:
80.59000

[ LogP ]:
3.14320

[ Water Solubility ]:
330 g/L (15 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2250000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt
CAS REGISTRY NUMBER :
302-95-4
LAST UPDATED :
199701
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C24-H39-O4.Na
MOLECULAR WEIGHT :
414.62
WISWESSER LINE NOTATION :
L E5 B666TJ A1 DQ E1 FY1&2VO OQ &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1370 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
123 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2430 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1050 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - other changes Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
815 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - acute pulmonary edema Blood - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
700 mg/kg/28D-C
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - changes in liver weight Lungs, Thorax, or Respiration - changes in lung weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 gm/kg/30D-I
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1400 mg/kg
SEX/DURATION :
male 28 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
10 umol/kg
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75, 1907-84. For publisher information, see JJCREP. Volume(issue)/page/year: 75,29,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83389 No. of Facilities: 138 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 361 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83389 No. of Facilities: 673 (estimated) No. of Industries: 6 No. of Occupations: 9 No. of Employees: 7419 (estimated) No. of Female Employees: 5995 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H335

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
FZ2250000

[ HS Code ]:
29181930

Precursor & DownStream

Precursor

DownStream

  • Cholan-24-oic acid,3,12-dihydroxy-, methyl ester, (3a,5b,12a)-

Customs

[ HS Code ]: 29181930

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ACCELERATED CELL DEATH6 (ACD6) is a multipass membrane protein with an ankyrin domain that acts in a positive feedback loop with the defense signal salicylic acid (SA). This study implemented biochemi...

Salicylic acid regulates Arabidopsis microbial pattern receptor kinase levels and signaling.

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Related Compounds

  • Sodium deoxycholate monohydrate
  • 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