aramchol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 8
PubChem 18738120
Molecular Formula

C44H79NO5

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C

InChI

InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1

synonyms
  • Aramchol
  • 246529-22-6
  • ICOMIDOCHOLIC ACID
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Properties
Property Value
MW 702.1 g/mol
HBD 4
HBA 5
Rotatable Bond Count 23
Exact Mass 701.59582462 g/mol
Monoisotopic Mass 701.59582462 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1020
xlogp 13.1
Topological Polar Surface Area 107