Structure

InChI Key XHKUDCCTVQUHJQ-LCYSNFERSA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChI=1S/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19+,20-;2-,3-,4+,5-/m01/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36N2O9
Molecular Weight 520.58
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
34.62
Renal and urinary disorders
15.38
Vascular disorders
11.54
Infections and infestations
7.69
Nervous system disorders
7.69
Psychiatric disorders
7.69
Cardiac disorders
3.85
General disorders and administration site conditions
3.85
Immune system disorders
3.85
Injury, poisoning and procedural complications
3.85

Cross References

Resources Reference
ChEBI 27502
ChEMBL CHEMBL1200437
FDA SRS R6875N380F
PubChem 94328
SureChEMBL SCHEMBL41479