Home > Name List By 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-tetrade...

CAS No 475-31-0 , 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]
acetic acid

  • Name: 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]
    acetic acid
  • Synonyms: Glycine;glycocholate; CHEMBL411070;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]
    acetic acid; N-Choloylglycine; 475-31-0; N-choloyl-; CHEBI:17687; Cholylglycine;
  • CAS Registry Number:
  • Transport: UN 3077
  • Melting Point: 128°C
  • Flash Point: 372.3°C
  • Boiling Point: 692°Cat760mmHg
  • Density: 0.988863265
  • Refractive index: 1.56
  • Water Solubility: methanol: 0.1 g/mL,almost insoluble in water
  • Safety Statements: R51/53
  • Hazard Symbols: N: Dangerous for the environment;
  • Flash Point: 372.3°C
  • EINECS: 207-494-9
  • Molecular Weight: 465.62272
  • InchiKey: RFDAIACWWDREDC-FRVQLJSFSA-N
  • InChI: InChI=1S/C26H43NO6/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)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,
    25+,26-/m1/s1
  • Risk Statements: S61
  • Molecular Formula: C26H43NO6
  • Molecular Structure:CAS No:475-31-0 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,<br />13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,<br />17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]<br />acetic acid

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    References of 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]
    acetic acid
    Title: Glycocholic Acid
    CAS Registry Number: 475-31-0
    CAS Name: N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
    Synonyms: N-cholylglycine
    Molecular Formula: C26H43NO6
    Molecular Weight: 465.62
    Percent Composition: C 67.07%, H 9.31%, N 3.01%, O 20.62%
    Literature References: The product of conjugation of cholic acid with glycine; chief ingredient of the bile of herbivorous animals. In the weakly alkaline bile fluid glycocholic acid exists as the sodium salt. Prepn from bile: Hammarsten in Abderhalden's Handbuch der Biol. Arbeitsmethoden, Abt. I, Teil 6, p 211 (1925). Prepn from cholic acid: Cortese, J. Am. Chem. Soc. 59, 2532 (1937). Synthesis: Cortese, Bauman, ibid. 57, 1393 (1935); Bergstrom, Norman, Acta Chem. Scand. 7, 1126 (1953). Separation: Antonides, GB 928635 (1963 to Armour). Metabolism: Norman, Scand. J. Gastroenterol. 5, 231 (1970).
     
    Derivative Type: Sesquihydrate
    Properties: Crystals from 5% alc, mp about 130°. [a]D23 +30.8° (c = 7.5 in 95% ethanol). Anhydr form, mp 165-168°. pK 4.4. Soly in water at 15°: 0.33 g/l; in boiling water: 8.3 g/l. Is hydrolyzed to cholic acid and glycine by acids and alkalies. Forms addition compds with nitrobenzene, aniline, benzyl alcohol, benzaldehyde, triolein.
    Melting point: mp about 130°; mp 165-168°
    pKa: pK 4.4
    Optical Rotation: [a]D23 +30.8° (c = 7.5 in 95% ethanol)
     
    Derivative Type: Sodium salt
    Molecular Formula: C26H42NNaO6
    Molecular Weight: 487.60
    Percent Composition: C 64.04%, H 8.68%, N 2.87%, Na 4.71%, O 19.69%
    Properties: Crystals from 95% alcohol + ether, mp 230-240°. [a]D24 +32° (water). Soly at 15° in water >274 g/l; in alcohol >340 g/l.
    Melting point: mp 230-240°
    Optical Rotation: [a]D24 +32° (water)