Compound Summary
Candesartan cilexetil
Compound Information
Candesartan cilexetil
Compound Name: | Candesartan cilexetil |
Compound CID: | 2540 |
Synonyms: | Candesartan cilexetil |
Iupac Name: | 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
InChI: | InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) |
InChIKey: | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
Canonical Smiles: | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 |
Isomeric Smiles: | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 |
Molecular Weight: | 610.7 |
Molecular Formula: | C33H34N6O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Candesartan cilexetil
Molecular Weight: | 610.7 |
Molecular Formula: | C33H34N6O6 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 45 |
Complexity: | 962 |
Synonyms
Candesartan cilexetil
Experimental Data
Candesartan cilexetil
Experimental Data Visualization
Candesartan cilexetil
Statistics Data
Candesartan cilexetil
Statistics Data Visualization
Candesartan cilexetil
