DIEPALRESTAT CHOLINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 16AHE7410O

Structure
InChI Key WKSNHZZSMLFYFI-UROVXFGGSA-M
Smile CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1.CC(/C=C1\SC(=S)N(CC(=O)[O-])C1=O)=C\c1ccccc1.C[N+](C)(C)CCO
InChI
InChI=1S/2C15H13NO3S2.C5H14NO/c2*1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12;1-6(2,3)4-5-7/h2*2-8H,9H2,1H3,(H,17,18);7H,4-5H2,1-3H3/q;;+1/p-1/b2*10-7+,12-8-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H39N3O7S4
Molecular Weight 741.98
AlogP 2.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Neuropathies 2 D003929 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297277
FDA SRS 16AHE7410O
PubChem 117587644
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