diltiazem

Ligand id: 2298

Name: diltiazem

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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
Approved drug? Yes (FDA (1982))
IUPAC Name
[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
International Nonproprietary Names
INN number INN
3433 diltiazem
Synonyms
(+)-cis-diltiazem | Cardizem® | CRD-401 | D-(cis)-diltiazem | Dilacor-XR® | RG-83606
Database Links
BindingDB Ligand 50004704
CAS Registry No. 42399-41-7 (source: Scifinder)
ChEBI CHEBI:101278
ChEMBL Ligand CHEMBL23
DrugBank Ligand DB00343
GtoPdb PubChem SID 135650185
PubChem CID 39186
Search Google for chemical match using the InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
Search Google for chemicals with the same backbone HSUGRBWQSSZJOP
Search PubMed clinical trials diltiazem
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Search UniChem for chemical match using the InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
Search UniChem for chemicals with the same backbone HSUGRBWQSSZJOP
Wikipedia Diltiazem
Comments
Diltiazem has vasodilating actions.