|
Synonyms: Inhibace® | Ro 31-2848006 | Vascace®
cilazapril is an approved drug
Comment: Cilazapril is a prodrug. It is metabolically converted to the drug cilazaprilat. Cilazapril does not appear to have marketing approval for human use in the US or EU, although national approval agencies may have granted marketing authorisation.
|
|
2D Structure
|
|
Physico-chemical Properties
|
|
|
Hydrogen bond acceptors
|
8
|
|
Hydrogen bond donors
|
2
|
|
Rotatable bonds
|
9
|
|
Topological polar surface area
|
99.18
|
|
Molecular weight
|
417.23
|
|
XLogP
|
2.15
|
|
No. Lipinski's rules broken
|
0
|
|
SMILES / InChI / InChIKey
|
|
|
Canonical SMILES
|
CCOC(=O)C(NC1CCCN2N(C1=O)C(CCC2)C(=O)O)CCc1ccccc1
|
|
Isomeric SMILES
|
CCOC(=O)[C@@H](N[C@H]1CCCN2N(C1=O)[C@@H](CCC2)C(=O)O)CCc1ccccc1
|
|
InChI
|
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
|
|
InChI Key
|
HHHKFGXWKKUNCY-FHWLQOOXSA-N
|
|
|
