Structure

InChI Key TZNOWAJJWCGILX-BTJKTKAUSA-N
Smile CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.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-

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 DailyMed Wikipedia Wikipedia Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Reference
Essential Hypertension; Hypertension Phase 4 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
ChEMBL CHEMBL1200984
FDA SRS CQ27G2BZJM
PubChem 6435922
SureChEMBL SCHEMBL121252