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863-57-0

Basic Information
CAS No.: 863-57-0
Name: Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,sodium salt (1:1)
Molecular Structure:
Molecular Structure of 863-57-0 (Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,sodium salt (1:1))
Formula: C26H42NO6Na
Molecular Weight: 487.612
Synonyms: Glycine,N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,monosodium salt (9CI);Glycine, N-choloyl-, monosodium salt (8CI);Cholane,glycine deriv.;Glycocholic acid sodium salt;Monosodium glycocholate;NSC35609;Sodium cholylglycinate;
EINECS: 212-730-9
Density: N/A
Melting Point: 210-215 °C
Boiling Point: 692oC at 760 mmHg
Flash Point: 372.3oC
Solubility: N/A
Appearance: light green solid
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 22-24/25
Transport Information: N/A
PSA: 129.92000
LogP: 1.62110
Synthetic route
81-25-4

cholic acid

56-40-6

glycine

863-57-0

sodium glycocholate

Conditions
ConditionsYield
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide In water; dimethyl sulfoxide; acetonitrile; tert-butyl alcohol at 20 - 80℃;95%
863-57-0

sodium glycocholate

88725-38-6

[(R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-acetic acid

Conditions
ConditionsYield
With DL-dithiothreitol; NAD In water; ethyl acetate for 40h; Ambient temperature; 3α-hydroxysteroid dehydrogenase, puryvate/lactic dehydrogenase, serum albumin, potassium phosphate buffer pH=8.5; Yield given;
863-57-0

sodium glycocholate

A

81-25-4

cholic acid

B

56-40-6

glycine

Conditions
ConditionsYield
With ethylenediaminetetraacetic acid; chloylglycine hydrolase; 2-hydroxyethanethiol In phosphate buffer at 20℃; for 0.333333h; pH=8;A 100 % Chromat.
B n/a
863-57-0

sodium glycocholate

911-40-0

7-ketodeoxycholic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent Chromat. / chloylglycine hydrolase; β-mercaptoethanol; EDTA / aq. phosphate buffer / 0.33 h / 20 °C / pH 8
2: 8 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C
View Scheme
863-57-0

sodium glycocholate

2955-27-3

ursocholic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent Chromat. / chloylglycine hydrolase; β-mercaptoethanol; EDTA / aq. phosphate buffer / 0.33 h / 20 °C / pH 8
2: 80 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C
View Scheme
863-57-0

sodium glycocholate

107589-98-0

glycocholic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NAD, DTT / ethyl acetate; H2O / 40 h / Ambient temperature; 3α-hydroxysteroid dehydrogenase, puryvate/lactic dehydrogenase, serum albumin, potassium phosphate buffer pH=8.5
2: NADH, DTT / ethanol; H2O / 30 h / 3β-hydroxysteroid dehydrogenase, formate/formate dehydrogenase, potassium phosphate buffer pH=7.2
View Scheme
863-57-0

sodium glycocholate

7585-39-9

β‐cyclodextrin

103419-27-8

C26H42NO6(1-)*C42H70O35*Na(1+)

Conditions
ConditionsYield
In water at 25℃; pH=7; Thermodynamic data; Concentration; phosphate buffer;
Raw Materials
81-25-4
56-40-6
Downstream Products
81-25-4
56-40-6
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  • SAGECHEM/ Glycocholic acid sodium salt  /Manufacturer in China

  • Casno:

    863-57-0

    SAGECHEM/ Glycocholic acid sodium salt /Manufacturer in China

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    SAGECHEM is a chemical R&D, manufacturing and distribution company in China since 2009, including pharmaceutical intermediates, agrochemical, dyestuff intermediates, organosilicone, API and etc. We also offer a full range of service

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  • Glycocholic Acid Sodium Salt

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    863-57-0

    Glycocholic Acid Sodium Salt

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  • GLYCOCHOLIC ACID SODIUM SALT

  • Casno:

    863-57-0

    GLYCOCHOLIC ACID SODIUM SALT

    Min.Order: 1 Gram

    FOB Price:  USD $ 2.0-2.0/Gram

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  • Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,sodium salt (1:1)

  • Casno:

    863-57-0

    Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,sodium salt (1:1)

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  • Sodium glycocholate cas no. 863-57-0 98%

  • Casno:

    863-57-0

    Sodium glycocholate cas no. 863-57-0 98%

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    Tel:0086-577-64498589

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  • sodium glycocholate hydrate

  • Casno:

    863-57-0

    sodium glycocholate hydrate

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    Tel:86-29-86107037-8015

    Address:No.11 Daqing Road,Lianhu District,Xi’an 710082,China

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  • Glycocholic acid sodium salt

  • Casno:

    863-57-0

    Glycocholic acid sodium salt

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  • GLYCOCHOLIC ACID SODIUM SALT

  • Casno:

    863-57-0

    GLYCOCHOLIC ACID SODIUM SALT

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  • Sodium Glycocholate

  • Casno:

    863-57-0

    Sodium Glycocholate

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    Our clients, like BASF,CHEMO,Brenntag,ASR,Evonik,Merck and etc.Appearance:COA Storage:in stock Application:MSDS/TDS

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    Address:No 611 Sishui Road,Huli

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Specification

The IUPAC name of Sodium glycocholate is sodium 2-[4-(3,7,12-trihydroxy-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. With the CAS registry number 863-57-0, it is also named as Glycocholate sodium salt. The product's categories are Detergents; Bile Acids; Biochemistry; Steroids; Mutagenesis Research Chemicals. Besides, it is light green solid, which should be stored in sealed and dry place. This chemical is used in biological medium. In addition, its molecular formula is C26H42NO6Na and its molecular weight is 487.60. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Sodium glycocholate can be summarized as: (1)EINECS: 212-730-9; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 2; (6)Exact Mass: 487.290983; (7)MonoIsotopic Mass: 487.290983; (8)Topological Polar Surface Area: 130; (9)Heavy Atom Count: 34; (10)Complexity: 766; (11)Melting Point: 210-215 °C; (12)refractive index: 30 ° (C=1, H2O).

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]C(=O)CNC(=O)CC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4[C@H](O)CC1C[C@H](O)CC[C@]1(C)[C@H]4C[C@H](O)[C@@]23C
(2)InChI: InChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
(3)InChIKey: OABYVIYXWMZFFJ-KFPABCKBBN
(4)Std. InChI: InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
(5)Std. InChIKey: OABYVIYXWMZFFJ-IBWKMHYSA-M