Ritonavir (Standard)

Chemical Information
Ritonavir is an L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as a HIV protease inhibitor, a xenobiotic, an antiviral drug and an environmental contaminant. It is a carbamate ester, a carboxamide, a member of 1,3-thiazoles, a member of ureas and a L-valine derivative.
| CAS Number | 155213-67-5 |
| PubChem CID | 392622 |
| IUPAC Name | 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate |
| Molecular Formula | C37H48N6O5S2 |
| Molecular Weight | 720.9 |
| XLogP | 6 |
| Topological Polar Surface Area | 202 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Property | Value |
|---|---|
| Molecular Weight | 720.9 |
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 18 |
| Exact Mass | 720.31276100 |
| Monoisotopic Mass | 720.31276100 |
| Topological Polar Surface Area | 202 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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