ioxaglate (Hexabrix) Report issue

Small molecule Approved FDA
ChEMBL Drug Central PubChem

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Chemistry

Mol. Mass

1464.1

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I
  • InChIKey: HUHDYASLFWQVOL-WZTVWXICSA-N
    InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1200508   ChEMBL
ioxaglate meglumine

CHEMBL1200743   ChEMBL
ioxaglate sodium

Ioxaglic acid   Wikipedia

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