Structure

InChI Key KPBZROQVTHLCDU-UHFFFAOYSA-N
Smile CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
InChI
InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23Cl2NO6
Molecular Weight 456.32
AlogP 4.25
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 90.93
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Hypertension, Malignant 3 D006974 ClinicalTrials
Scoliosis 2 D012600 ClinicalTrials
Vascular Diseases 0 D014652 ClinicalTrials

Related Entries

MCS

Scaffolds

UNKNOWN

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Investigations
21.26
Cardiac disorders
17.32
General disorders and administration site conditions
17.32
Respiratory, thoracic and mediastinal disorders
16.54
Vascular disorders
8.66
Metabolism and nutrition disorders
5.51
Injury, poisoning and procedural complications
3.94
Renal and urinary disorders
2.36
Product issues
2.36

Cross References

Resources Reference
CAS NUMBER 167221-71-8
ChEBI 135738
ChEMBL CHEMBL1237132
DrugBank DB04920
DrugCentral 674
EPA CompTox DTXSID6057661
FDA SRS 19O2GP3B7Q
Guide to Pharmacology 7468
PubChem 153994
SureChEMBL SCHEMBL115522