TAUROSELCHOLIC ACID SE-75

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO7SSe
Molecular Weight	590.626
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(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@]12C)[C@H](C)C[75Se]CC(=O)NCCS(O)(=O)=O

InChI

InChIKey=JCMLWGQJPSGGEI-DJQDYNOGSA-N

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/i36-4

HIDE SMILES / InChI

Molecular Formula	C26H45NO7SSe
Molecular Weight	590.626
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www3.gehealthcare.ca/~/media/downloads/ca/products/medical%20diagnostics/gehc_product-monograph_medical-diagnostics_sehcat_english.pdf | https://ehs.stanford.edu/reference/se-75-radionuclide-fact-sheet

Tauroselcholic acid Se-75 (SeHCAT) is an analog of naturally occurring bile acid conjugate taurocholic acid. It contains a radioactive isotope of selenium, which decays with a half-life of 120 days by emitting gamma-radiation. Tauroselcholic acid is used in clinical tests to diagnose bile acid malabsorption. This is achieved by determining either the excretion of activity in feces or the retention of the activity in the body over a period of days. Tauroselcholic acid is useful in the assessment of ileal involvement in, Crohn's disease, in assessing reduction of ileal absorptive function following certain surgical interventions and in assisting in the classification of patients suffering from chronic diarrhea.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:23 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:23 UTC 2023`
Record UNII	XK88N6ZJHP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAUROSELCHOLIC ACID SE-75

Common Name

English

Selenium (75Se) tauroselcholic acid [WHO-DD]

Common Name

English

ETHANESULFONIC ACID, 2-(((((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.,20S)-3,7,12-TRIHYDROXY-20-METHYLPREGNAN-21-YL)SELENO-75SE)ACETYL)AMINO)-

Systematic Name

English

SELENIUM (75SE) TAUROSELCHOLIC ACID

Common Name

English

Classification Tree Code System Code

WHO-ATC

V09DX01