SODIUM CHOLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NU3Y4CCH8Z

Structure
InChI Key IDTKYULNNHHWBS-OQOFIJTASA-M
Smile C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@]12C.[Na+]
InChI
InChI=1S/C25H42O5.Na/c1-14(5-8-22(29)30)17-6-7-18-24(17,3)21(28)13-19-23(2)10-9-16(26)11-15(23)12-20(27)25(18,19)4;/h14-21,26-28H,5-13H2,1-4H3,(H,29,30);/q;+1/p-1/t14-,15+,16-,17-,18-,19-,20-,21+,23+,24-,25+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H41NaO5
Molecular Weight 444.59
AlogP 3.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL475954
FDA SRS NU3Y4CCH8Z
PubChem 23668194
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