SILVEX, MONOHYDROXYALUMINUM SALT

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q4G90E20XW

Structure

InChI Key NZQXAZKPABADOD-UHFFFAOYSA-K
Smiles O|[Al]|1|2(|[O]C(=O)C(C)O|1c3cc(Cl)c(Cl)cc3Cl)|[O]C(=O)C(C)O|2c4cc(Cl)c(Cl)cc4Cl
InChI
InChI=1S/2C9H7Cl3O3.Al.H2O/c2*1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;;/h2*2-4H,1H3,(H,13,14);;1H2/q;;+3;/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H13Al1Cl6O7
Molecular Weight 577.86
AlogP 3.77
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 6.0
Polar Surface Area 128.72
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 69622-82-8
NORMAN SUSDAT
FDA SRS Q4G90E20XW
CONTENTS