Basic information
- Name:
Glycine, N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
- Superlist Name:
- Sodium glycochenodeoxycholate
- CAS No.:
16564-43-5
- Molecular Structure:
![Molecular Structure of 16564-43-5 (Glycine, N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1))](http://www.lookchem.com/300w/2010/0619/16564-43-5.jpg)
- Formula:
- C26H42NNaO5
- Molecular Weight:
- 471.61
- Synonyms:
- Glycine,N-(3a,7a-dihydroxy-5b-cholan-24-oyl)-, monosodium salt (8CI);Glycine,N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]-, monosodium salt (9CI);Glycochenodeoxycholic acid sodium salt (6CI,7CI);NSC 681056;Sodiumchenodeoxycholylglycine;Sodiumglycochenodesoxycholate;glycochenodeoxycholic acid sodium;
- Boiling Point:
- 655.6 °C at 760 mmHg
- Flash Point:
- 350.3 °C
- Solubility:
- H2O: 50mg/mL, clear, faintly yellow
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Specification
The Sodium glycochenodeoxycholate with its cas register number is 16564-43-5. It also can be called as Glycine, N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1) and the IUPAC Name about this chemical is sodium 2-[4-(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)pentanoylamino] acetate.
Physical properties about Sodium glycochenodeoxycholate are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 2.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 76.07Å2; (12)Enthalpy of Vaporization: 110.54 kJ/mol; (13)Vapour Pressure: 5.74E-20 mmHg at 25°C
The Sodium glycochenodeoxycholate is a bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
(2)InChI: InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1
(3)InChIKey: AAYACJGHNRIFCT-UHFFFAOYSA-M