Structure

InChI Key TZNOWAJJWCGILX-HNUXRKMMSA-N
Smile CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClN2O9
Molecular Weight 524.95
AlogP 2.27
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 4 D006973 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594288
FDA SRS 12WW9T2ITA
PubChem 69165622
SureChEMBL SCHEMBL4732063