ranitidine

Ligand id: 1234

Name: ranitidine

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View more information in the IUPHAR Pharmacology Education Project: ranitidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 108.88
Molecular weight 314.14
XLogP 2.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
IUPAC Name
N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine
International Nonproprietary Names
INN number INN
4660 ranitidine
Synonyms
AH-19065 | Gavilast® | GR-122311X | Zantac®
Database Links
CAS Registry No. 66357-35-5 (source: Scifinder)
ChEBI CHEBI:8776
ChEMBL Ligand CHEMBL512
DrugBank Ligand DB00863
PubChem CID 3001055
Search Google for chemical match using the InChIKey VMXUWOKSQNHOCA-UKTHLTGXSA-N
Search Google for chemicals with the same backbone VMXUWOKSQNHOCA
Search PubMed clinical trials ranitidine
Search PubMed titles ranitidine
Search PubMed titles/abstracts ranitidine
Search UniChem for chemical match using the InChIKey VMXUWOKSQNHOCA-UKTHLTGXSA-N
Search UniChem for chemicals with the same backbone VMXUWOKSQNHOCA
Wikipedia Ranitidine
Comments
There is some ambiguity in the exact stereochemistry of ranitidine as represented in the literature and on other databases. The structure shown here matches that in the PubChem entry above. Other common representations include CID 657345. N.B. The structure shown in the INN document does not have a charge.
Marketed formulations may contain ranitidine hydrochloride (PubChem CID 3033332).