SeHCAT

SeHCAT
Names
IUPAC name
(75Se)-2-[[[[(3α,5α,7α,12α,20S)-3,7,12-trihydroxy-20-methylpregnan-21-yl]seleno]acetyl]amino]ethanesulfonic acid,
Other names
23-Seleno-25-homo-tauro-cholic acid; Selenium homocholic acid taurine; Tauroselcholic acid
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 Y
    Key: JCMLWGQJPSGGEI-HZAMXZRMSA-N Y
SMILES
  • C[C@H](C[75Se]CC(NCCS(O)(=O)=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C
Properties
Chemical formula
 C26H45NO7SSe
Molar mass 594.68 g·mol−1
Pharmacology
V09DX01 (WHO)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

SeHCAT (23-seleno-25-homotaurocholic acid, selenium homocholic acid taurine, or tauroselcholic acid) is a drug used in a clinical test to diagnose bile acid malabsorption.[1]

  1. ^ "23-seleno-25-homotaurocholic acid - Compound Summary". CID 123829. NCBI. Retrieved 3 April 2011.
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