L-(cis)-diltiazem

Ligand id: 2349

Name: L-(cis)-diltiazem

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 84.38
Molecular weight 414.16
XLogP 3.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Database Links
ChEBI CHEBI:82813
ChEMBL Ligand CHEMBL1397935
PubChem CID 198107
Search Google for chemical match using the InChIKey HSUGRBWQSSZJOP-LEWJYISDSA-N
Search Google for chemicals with the same backbone HSUGRBWQSSZJOP
Search UniChem for chemical match using the InChIKey HSUGRBWQSSZJOP-LEWJYISDSA-N
Search UniChem for chemicals with the same backbone HSUGRBWQSSZJOP