(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid
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(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid
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CAS No:
83701-16-0
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Formula:
C24H36D4O3
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Chemical Name:
(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid
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Synonyms:
Cholan-24-oic-2,2,4,4-d4 acid,3-hydroxy-,(3α,5β)-;(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid;Lithocholic acid-d4
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CAS No:
(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid Use and Manufacturing
A labelled cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.
Computed Properties
Molecular Weight:380.6
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:380.32285212
Monoisotopic Mass:380.32285212
Topological Polar Surface Area:57.5
Heavy Atom Count:27
Complexity:574
Isotope Atom Count:4
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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