nitroglycerin

Ligand id: 7053

Name: nitroglycerin

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 157.11
Molecular weight 227
XLogP 0.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1981))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
1,3-dinitrooxypropan-2-yl nitrate
Synonyms
glyceryl trinitrate | Glytrin® | Minitran® | Rectogesic®
Comments
Nitroglycerin acts as a vasodilator.
Database Links
CAS Registry No. 55-63-0 (source: Scifinder)
ChEMBL Ligand CHEMBL730
DrugBank Ligand DB00727
GtoPdb PubChem SID 178103632
PubChem CID 4510
RCSB PDB Ligand TNG
Search Google for chemical match using the InChIKey SNIOPGDIGTZGOP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey SNIOPGDIGTZGOP-UHFFFAOYSA-N
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Wikipedia Nitroglycerin