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Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate | CAS No. 11006-55-6

Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate

Basic Information

Chemical_Structure_Of
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CAS Number

11006-55-6

Molecular Formula

C28H47N2NaO8S

Molecular Weight

595.74 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]

InChI

InChI=1S/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-;/m1./s1

InChIKey

PUODKHBECQMSKY-QRPKJZHMSA-M

LogP

3.00430

Complexity

1020

Synonyms & References

English

  • Tauroglycocholic acid sodium salt
  • SODIUM, (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-PENTANOATE
  • SODIUM CHOLATE
  • SODIUM CHOLEATE
  • 17-(1-Methyl-3-carboxypropyl)etiocholane-3
  • 17-beta-(1-methyl-3-carboxypropyl)etiocholane-3alpha,7alpha,12alpha-triol
  • 3,7,12-trihydroxy-,(3-alpha,5-beta,7-alpha,12-alpha)-cholan-24-oicaci
  • 3,7,12-trihydroxy-,(3alpha,5beta,7alpha,12alpha)-cholan-24-oicaci
  • 3,7,12-Trihydroxy-5-chloanicacid
  • SODIUM TAUROGLYCOCHOLATE
  • sodium,2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]acetyl]a
  • 2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
  • EINECS 234-243-0
  • Ethanesulfonic acid,2-(((((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)acetyl)amino)-,monosodium salt
  • Tauroglycolic acid,sodium salt
  • cholic acid, sodium salt
  • cholic acid, monosodium salt
  • ds-na
  • sodium cholic acid
  • trihydroxy 3-7-12 cholanate de na
  • BileSaltCertified
  • tauroglycocholic acid
  • cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3-alpha,5-beta,7-al,12-alpha)-ph
  • 3,7,12-trihydroxy-, monosodium salt, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-Cholan-24-oic acid
  • 2-[[[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-ethanesulfonic acid monosodium salt
  • cholic acid sodium salt

MDL Number

MFCD00036243

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate (CAS: 11006-55-6)?
Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate is a crystalline compound with a molecular weight of approximately 1015.39 g/mol. It is moderately soluble in water and has limited solubility in organic solvents. The compound is highly reactive, showing susceptibility to hydrolysis and degradation under basic conditions. Its reactivity is also influenced by temperature and pH.

How is Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate (CAS: 11006-55-6) typically synthesized?
Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate is synthesized through a multistep organic synthesis involving the coupling of a glycan fragment with an ethanesulfonate derivative. The reaction typically occurs in the presence of a suitable base and a catalyst, with high selectivity and moderate yield. Detailed conditions, including temperature, solvent, and reagents, are crucial for successful synthesis.

What industries use Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate (CAS: 11006-55-6)?
Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate is primarily used in the pharmaceutical industry for its potential as a drug intermediate. It also finds applications in the polymer industry for modifying polymer properties and in the sensor industry for use in biosensors. Its use in semiconductors is less common but can be relevant in certain advanced applications.

What precautions should be taken when handling Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate (CAS: 11006-55-6)?
When handling Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, protective eyewear, and lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled carefully using appropriate absorbents and disposal methods. Always consult the safety data sheet (SDS) for detailed handling and disposal instructions.

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Supplier Information

Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 11006-55-6

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Shanghai Hansi Chemical Co., Ltd.

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HangZhouBaoJi Biotechnology Co Ltd

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Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate — Tianjin Damao Chemical Reagent Factory

Tianjin Damao Chemical Reagent Factory

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ZhengZhouJinDe Chemical Co Ltd

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SiChuanWeiKeJi Biotechnology Co Ltd

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ShenZhenShiRuiJiTe Biotechnology Co Ltd

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ShangHaiYiHe Biotechnology Co Ltd

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ShaMenRenChi Industrial Co Ltd

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Tianjin Kemuo Chemical Reagents Co., Ltd.

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ZhengZhouLongShengHuaGong Food Co Ltd

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ShangHaiZhenZhun Biotechnology Co Ltd

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Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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Shanghai Aladdin Bio-Technologies Co., Ltd.

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WuHanWeiSiErManShengWu Engineering Co Ltd

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