IUPAC name
1,3-bis(nitrooxy)propan-2-yl nitrate
SMILES
[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O
Compound class
Vasodilator Agents; Explosive Agents; Cardiovascular System; Muscle Relaxants; Cardiac Therapy; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Organic Nitrates; Vasodilators Used in Cardiac Diseases;
Therapeutic area
For the prevention of angina.
Common name
Nitroglycerin
IUPAC name
1,3-bis(nitrooxy)propan-2-yl nitrate
SMILES
[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O
INCHI
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
FORMULA
C3H5N3O9
Common name
Nitroglycerin
IUPAC name
1,3-bis(nitrooxy)propan-2-yl nitrate
Molecular weight
227.087
clogP
-2.319
clogS
0.011
HBond Acceptor
9
HBond Donor
0
Total Polar Surface Area
183.12
Number of Rings
0
Rotatable Bond
8
