Basic Information | Post buying leads | Suppliers |
Name |
Sodium dehydrocholate |
EINECS | 205-652-1 |
CAS No. | 145-41-5 | Density | N/A |
PSA | 91.34000 | LogP | 2.73860 |
Solubility | H2O: 0.1 M at 20 °C, clear, colorless | Melting Point |
>300°C |
Formula | C24H34O5.Na | Boiling Point | 581.5°C at 760mmHg |
Molecular Weight | 424.513 | Flash Point | 319.5°C |
Transport Information | N/A | Appearance | COA |
Safety | 22-36 | Risk Codes | 22-37 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
5b-Cholan-24-oic acid,3,7,12-trioxo-, sodium salt (8CI);Dehydrocholic acid sodium salt (6CI);Biliron;Biliton;Carachol;Decholin sodium;Decholin sodium salt;Dehydrocholatesodium;Dilabil sodium;Dycholium;Sodium 3,7,12-triketocholanate;Sodium3,7,12-trioxo-5b-cholanate; |
diethyl (2R,3R)-tartrate
3,7,12-trioxo-5β-cholan-24-oic acid ethyl ester
B
Biliton
Conditions | Yield |
---|---|
With methanol; sodium hydroxide; water |
Conditions | Yield |
---|---|
With phosphate buffer; 3α-HSDH from Pseudomonas paucimobilis; NAD; iso-butanol In water at 22℃; for 48h; | 100% |
With hydrogen; nickel In water at 30℃; for 2h; pH=8.8; ultrasound irradiation; | 80% |
triphenylsulfonium 2-(4-chlorobutyryloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
Biliton
Conditions | Yield |
---|---|
With sodium iodide In N,N-dimethyl-formamide at 80℃; for 11h; | 50% |
Biliton
A
7,12-dioxolitocholic acid
B
3β-hydroxy-7,12-diketo-5β-cholan-24-oic acid
Conditions | Yield |
---|---|
With malt extract; D-glucose; Collybia velutipes In water at 24℃; for 168h; Microbiological reaction; | A 40% B 20% |
triphenylsulfonium 2-(2-chloroacetoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
Biliton
Conditions | Yield |
---|---|
With sodium iodide In N,N-dimethyl-formamide at 90℃; for 15h; | 24% |
Conditions | Yield |
---|---|
With potassium hydroxide for 12h; Ambient temperature; | 16.6% |
Conditions | Yield |
---|---|
With phosphate buffer pH=5.5; ion pair formation; |
Biliton
methyl 3α-hydroxy-7,12-dioxo-5β-cholan-24-oate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 40 percent / Collybia velutipes; glucose; malt extract / H2O / 168 h / 24 °C / Microbiological reaction 2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation View Scheme | |
Multi-step reaction with 2 steps 1: 80 percent / H2 / Raney nickel / H2O / 2 h / 30 °C / pH 8.8 / ultrasound irradiation 2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation View Scheme |
Biliton
methyl 3β-hydroxy-7,12-dioxo-5β-cholanate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 20 percent / Collybia velutipes; glucose; malt extract / H2O / 168 h / 24 °C / Microbiological reaction 2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation View Scheme |
Conditions | Yield |
---|---|
With sulfuric acid; water In ethyl acetate pH=1 - 5; |
IUPAC Name: Sodium 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Synonyms of Sodium dehydrocholate (CAS NO.145-41-5): 5-Beta-Cholan-24-oic acid, 3,7,12-trioxo-, monosodium salt ; 5-Beta-Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt ; Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt, (5beta)-
Molecular Structure :
Molecular Formula: C24H33NaO5
Molecular Weight: 424.51
CAS NO: 145-41-5
EINECS: 205-652-1
Flash Point: 319.5 °C
Enthalpy of Vaporization: 95 kJ/mol
Boiling Point: 581.5 °C at 760 mmHg
Vapour Pressure: 4.96E-15 mmHg at 25°C
Melting point: >300°C
Refractive index: 27 ° (C=5, H2O)
Solubility: H2O: 0.1 M at 20 °C, clear, colorless
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 91.34 Å2
SMILES: [Na+].[O-]C(=O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(=O)C[C@H]1[C@H]3C(=O)C[C@@H]2CC(=O)CC[C@]12C
InChI: InChI=1/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
InChIKey: FKJIJBSJQSMPTI-ALKJRUHFBQ
Std. InChI: InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1 Std. InChIKey: FKJIJBSJQSMPTI-CAOXKPNISA-M
Product Categories of Sodium dehydrocholate (CAS NO.145-41-5): Bile Acids;Biochemistry;Steroids
Sodium dehydrocholate (CAS NO.145-41-5) may help to reduce serum endotoxin of obstructive jaundice.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1480mg/kg (1480mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 280, 1970. | |
mouse | LD50 | intravenous | 1100mg/kg (1100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974. |
mouse | LD50 | oral | 2150mg/kg (2150mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974. |
mouse | LD50 | subcutaneous | 1350mg/kg (1350mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974. |
rabbit | LDLo | intravenous | 1gm/kg (1000mg/kg) | CARDIAC: OTHER CHANGES BLOOD: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926. |
rat | LD50 | intraperitoneal | 1100mg/kg (1100mg/kg) | Chimica Therapeutica. Vol. 5, Pg. 188, 1970. | |
rat | LD50 | intravenous | 887mg/kg (887mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 280, 1970. | |
rat | LD50 | oral | 3755mg/kg (3755mg/kg) | German Offenlegungsschrift Patent Document. Vol. 2630169, | |
rat | LD50 | subcutaneous | 2300mg/kg (2300mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xn
Risk Statements: 22-37
R22: Harmful if swallowed.
R37: Irritating to respiratory system
Safety Statements: 22-36
S22: Do not breathe dust.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: FZ2500000
F: 3-9