Cas no 338950-81-5 (Glycocholic Acid Hydrate Sodium Salt)

Glycocholic Acid Hydrate Sodium Salt structure
338950-81-5 structure
Product Name:Glycocholic Acid Hydrate Sodium Salt
CAS No:338950-81-5
MF:C26H44NNaO7
MW:505.619839668274
MDL:MFCD09037360
CID:839694
PubChem ID:87570392
Update Time:2025-04-19

Glycocholic Acid Hydrate Sodium Salt Chemical and Physical Properties

Names and Identifiers

    • Sodium glycocholate hydrate
    • Glycocholic Acid Hydrate Sodium Salt
    • Glycocholic acid sodium salt
    • 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide sodium salt
    • N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt
    • N-Cholylglycine sodium salt
    • Glycocholic Acid Sodium Salt Hydrate
    • SodiumGlycocholateHydrate
    • CID 126968997
    • Glycine, N-[(3
    • A)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-Glycine sodium salt xhydrate
    • F20501
    • Glycine, N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, monohydrate
    • 338950-81-5
    • CHEMBL1514342
    • CHEBI:181014
    • Sodium glycocholate hydrate, >=97% (TLC)
    • AS-62941
    • SMR000875223
    • A)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:x:x)
    • N-[(3
    • Glycine, N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:1:1)
    • MFCD09037360
    • 207614-05-9
    • MLS001332642
    • A,5
    • AKOS025311088
    • G-5300
    • A,12
    • CS-0128751
    • sodium;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]acetate;hydrate
    • HMS2236C08
    • Glycocholic acid, sodium salt hydrate
    • A,7
    • MDL: MFCD09037360
    • Inchi: 1S/C26H43NO6.Na.H2O/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);;1H2/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1
    • InChI Key: YWROUPFMHKARON-HJRQWJHVSA-M
    • SMILES: [Na+].O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(NCC(=O)[O-])=O)[C@]21C)O)O.O

Computed Properties

  • Exact Mass: 505.30154702g/mol
  • Monoisotopic Mass: 505.30154702g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 6
  • Complexity: 766
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 131

Experimental Properties

  • Melting Point: 210-215?°C (subl.) (lit.)
  • Solubility: Ethanol (Slightly, Sonicated), DMSO (Slightly), Water (Slightly)
  • Merck: 4494

Glycocholic Acid Hydrate Sodium Salt Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: 24/25
  • FLUKA BRAND F CODES:3-9
  • RTECS:MB9265100
  • Storage Condition:0-10°C

Glycocholic Acid Hydrate Sodium Salt Pricemore >>

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