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474-25-9

Basic Information
CAS No.: 474-25-9
Name: Chenodeoxycholic acid
Molecular Structure:
Molecular Structure of 474-25-9 (Chenodeoxycholic acid)
Formula: C24H40O4
Molecular Weight: 392.58 .
Synonyms: Anthropodeoxycholic acid;Cholan-24-oic acid,3,7-dihydroxy-,(3R,5a,- 7R)-;Chenodiol [USAN];7-alpha-Hydroxylithocholic acid;Anthropododesoxycholic acid;Acido chenodeoxicholico [INN-Spanish];Chenodesoxycholic acid;Cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha., 5-.beta., 7-.alpha.)-;Acidum chenodeoxycholicum [INN-Latin];Anthropodesoxycholic acid;Chenodeoxycholic acid (JAN);(4R)-4-[(3R,5S,7R,8R,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;Chendol;3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid;Prestwick_553;3-alpha,7-alpha-Dihydroxycholanic acid;Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9CI);Chenodiol;Chenodesoxycholsaeure [German];5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-;(4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;Chenodeoxycholate;
EINECS: 207-481-8
Density: 1.129 g/cm3
Melting Point: 165-167 °C(lit.)
Boiling Point: 547.148 °C at 760 mmHg
Flash Point: 298.8 °C
Solubility: practically insoluble in water
Appearance: Off-white solid
Hazard Symbols: HarmfulXn
Risk Codes: 63
Safety: 22-24/25-45-36/37
Transport Information:
PSA: 77.76000
LogP: 4.47790
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Chemistry

Structure of Chenodeoxycholic acid (CAS NO.474-25-9):

IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,
3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 
Empirical Formula: C24H40O4
Molecular Weight: 392.572 
EINECS: 207-481-8 
Index of Refraction: 1.543
Molar Refractivity: 109.65 cm3
Molar Volume: 347.8 cm3
Polarizability: 43.46×10-24cm3
Surface Tension: 46 dyne/cm
Density: 1.128 g/cm3
Flash Point: 298.8 °C
Enthalpy of Vaporization: 95.01 kJ/mol 
Melting Point: 165-167 °C(lit.)
Boiling Point: 547.1 °C at 760 mmHg
Vapour Pressure: 2.98E-14 mmHg at 25°C 
Water Solubility: PRACTICALLY INSOLUBLE 
Physical Appearance: Off-White Solid
Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Steroids;Intracellular receptor

Uses

A major bile acid in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate. With other bile acids, forms mixed micelles with lecithin in bile which solubilize cholesterol and thus facilitates its excretion.

Toxicity Data With Reference

1.    

mmo-sat 20 mg/L

    MUREAV    Mutation Research. 158 (1985),45.
2.    

sln-smc 100 mg/L

    CRNGDP    Carcinogenesis. 5 (1984),447.
3.    

orl-wmn TDLo:24 g/kg/5Y-C:CAR

    CLONEA    Clinics in Oncology. 7 (1981),245.
4.    

orl-rat LD50:4000 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),1128.
5.    

ipr-rat LD50:105 mg/kg

    OYYAA2    Oyo Yakuri. Pharmacometrics. 15 (1978),915.
6.    

ivn-rat LD50:106 mg/kg

    OYYAA2    Oyo Yakuri. Pharmacometrics. 15 (1978),915.
7.    

orl-mus LD50:3000 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),1128.
8.    

ipr-mus LD50:86 mg/kg

    OYYAA2    Oyo Yakuri. Pharmacometrics. 15 (1978),915.
9.    

ivn-mus LD50:100 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),323.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. Questionable human carcinogen producing liver tumors. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: HarmfulXn
Risk Statements: 63 
R63:Possible risk of harm to the unborn child.
Safety Statements: 22-24/25-45-36/37 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 2
RTECS: FZ1980000

Specification

  Chenodeoxycholic acid , its cas register number is 474-25-9. It also can be called 3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid ; 3-alpha,7-alpha-Dihydroxycholanic acid ; 3-alpha,7-alpha-Dihydroxycholansaeure ; 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid ; 7-alpha-Hydroxylithocholic acid ; Acide chenodeoxycholique ; Acido chenodeoxicholico ; Anthropodeoxycholic acid ; Anthropododesoxycholic acid ; Chenic acid ; Chenix ;
 Chenodesoxycholsaeure ; Chenodiol ; Gallodesoxycholic acid .