COMPUTED DESCRIPTORS
| Molecular Weight | 361.4 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 361.13255090 g/mol |
| Monoisotopic Mass | 361.13255090 g/mol |
| Topological Polar Surface Area | 81.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nitroflurbiprofen is a carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2. It has a role as a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a non-steroidal anti-inflammatory drug, an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a vasodilator agent and a geroprotector. It is an organofluorine compound, a member of biphenyls, a carboxylic ester and a nitrate ester. It is functionally related to a flurbiprofen.