PACTIMIBE SULFATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: FX3YKK43YM
Parent Compound: PACTIMIBE

Structure
InChI Key MKJQESRCXYYHFR-UHFFFAOYSA-N
Smile CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21.CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21.O=S(=O)(O)O
InChI
InChI=1S/2C25H40N2O3.H2O4S/c2*1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6;1-5(2,3)4/h2*7-16H2,1-6H3,(H,26,30)(H,28,29);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H82N4O10S
Molecular Weight 931.29
AlogP 5.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 69.64
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Reference
Atherosclerosis; Hypercholesterolemia; Hyperlipoproteinemia Type II Phase 2/Phase 3 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL447977
EPA CompTox DTXSID20209694
FDA SRS FX3YKK43YM
PubChem 11953348
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