Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: C08CA15
UNII: 4G9T91JS7E

Structure

InChI Key QZVNQOLPLYWLHQ-UHFFFAOYSA-N
Smile COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31N3O6
Molecular Weight 505.57
AlogP 4.21
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 111.01
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 105979-17-7
ChEMBL CHEMBL2074972
FDA SRS 4G9T91JS7E
Guide to Pharmacology 10159
PubChem 656668
SureChEMBL SCHEMBL24517