Palovarotene

Chemical Information
Palovarotene is an olefinic compound that is ethene is which a hydrogen at position 1 is replaced by a 4-carboxyphenyl group and a hydrogen at position 2 is replaced by a 5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl group (the E-stereoisomer). It is a selective retinoic acid receptor gamma (RARgamma) agonist developed by Ipsen, to reduce the formation of new heterotopic ossification in adults and children with fibrodysplasia ossificans progressiva (FOP), a rare bone disorder. It has a role as a retinoic acid receptor gamma agonist. It is a member of benzoic acids, a member of pyrazoles, a stilbenoid, a member of tetralins and an olefinic compound.
| CAS Number | 410528-02-8 |
| PubChem CID | 10295295 |
| IUPAC Name | 4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid |
| Molecular Formula | C27H30N2O2 |
| Molecular Weight | 414.5 |
| XLogP | 6.8 |
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 662 |
| Property | Value |
|---|---|
| Molecular Weight | 414.5 |
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 414.230728204 |
| Monoisotopic Mass | 414.230728204 |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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