nitroglycerin

Ligand id: 7053

Name: nitroglycerin

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Structure and Physico-chemical Properties

2D Structure
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))
IUPAC Name
1,3-dinitrooxypropan-2-yl nitrate
Synonyms
glyceryl trinitrate | Glytrin® | Minitran® | Rectogesic®
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
Search Google for chemicals with the same backbone SNIOPGDIGTZGOP
Search UniChem for chemical match using the InChIKey SNIOPGDIGTZGOP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SNIOPGDIGTZGOP
Wikipedia Nitroglycerin
Comments
Nitroglycerin acts as a vasodilator.