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Substance Name: Sodium taurocholate
RN: 145-42-6
UNII: M6N3TH81NO
InChIKey: JAJWGJBVLPIOOH-IZYKLYLVSA-M

Note

  • The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.

Molecular Formula

  • C26-H45-N-O7-S.Na

Molecular Weight

  • 537.6896
 

Classification Code

  • Mutation Data
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Names and Synonyms

Results Name

  • Sodium taurocholate

Name of Substance

  • Sodium taurocholate

Synonyms

  • CCRIS 5580
  • EINECS 205-653-7
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
  • Monosodium 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonate
  • Monosodium N-choloyltaurinate
  • Monosodium taurocholic acid
  • Sodium taurocholate
  • Taurine, N-choloyl-, monosodium salt
  • Taurocholate sodium
  • Taurocholate sodium salt
  • Taurocholic acid sodium salt
  • UNII-M6N3TH81NO

Systematic Names

  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1)
  • Sodium N-choloyltaurinate
  • Sodium taurocholate
  • Taurine, N-choloyl-, sodium salt

Superlist Name

  • Sodium taurocholate

Registry Numbers

CAS Registry Number

  • 145-42-6

FDA UNII

  • M6N3TH81NO

Other Registry Numbers

  • 130860-43-4
  • 69258-29-3
  • 8002-22-0

Related Registry Number

  • 81-24-3 (Parent)

System Generated Number

  • 0000145426

Molecular Formulas

Molecular Formula

  • C26-H45-N-O7-S.Na

Molecular Formula Fragments

  • C26-H45-N-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1

InChIKey

JAJWGJBVLPIOOH-IZYKLYLVSA-M

Smiles

[C@H]12[C@H]3[C@@]([C@H](CC3)[C@@H](CCC(=O)NCCS(=O)(=O)[O-])C)([C@H](C[C@@H]1[C@@]1([C@H](C[C@H]2O)C[C@@H](CC1)O)C)O)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 110mg/kg (110mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926.