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60237-34-5

60237-34-5 Structure

60237-34-5 Structure
IdentificationBack Directory
[Name]

(3α,5β,7α)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid DisodiuM Salt
[CAS]

60237-34-5
[Synonyms]

Chenodeoxycholic acid 3-sulfate disodium salt
(3α.5β.7α)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt
(3a,5b,7a)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt
(3α,5β,7α)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid DisodiuM Salt
[Molecular Formula]

C24H41NaO7S
[MOL File]

60237-34-5.mol
[Molecular Weight]

496.63
Chemical PropertiesBack Directory
[Melting point ]

203-208°C
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

DIZNBCQKAASHQT-OHXJQDLJNA-N
[SMILES]

O[C@@H]1C[C@]2([H])C[C@H](OS(O)(=O)=O)CC[C@]2(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C.[NaH] |&1:1,3,6,14,16,20,21,23,32,34,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(3α,5β,7α)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid is the 3-monosulfate derivative of chenodeoxycholic acid (C291900), a major bile acid in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate.
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