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Ritonavir

Molecular FormulaC₃₇H₄₈N₆O₅S₂
Average mass720.944 Da
Monoisotopic mass720.312744 Da
ChemSpider ID347980

- 4 of 4 defined stereocentres

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1E,2S)-N-[(2S,4S,5S)-4-Hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylmethoxy)methylen]amino}-1,6-diphenyl-2-hexanyl]-2-[(E)-(hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino}methylen)amino]-3-me thylbutanimidsäure [German] [ACD/IUPAC Name]

(1E,2S)-N-[(2S,4S,5S)-4-Hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylmethoxy)methylene]amino}-1,6-diphenyl-2-hexanyl]-2-[(E)-(hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino}methylene)amino]-3- methylbutanimidic acid [ACD/IUPAC Name]

(2S,3S,5S)-5-[N-[N-[[N-methyl-N-[(2-isopropyl-4-thiazolyl)methyl]amino]carbonyl]valinyl]amino]-2-[N-[(5-thiazolyl)methoxycarbonyl]amino]-1,6-diphenyl-3-hydroxyhexane

[(1S,2S,4S)-1-benzyl-2-hydroxy-4-({(2S)-3-méthyl-2-[(méthyl{[2-(1-méthyléthyl)-1,3-thiazol-4-yl]méthyl}carbamoyl)amino]butanoyl}amino)-5-phénylpentyl]carbamate de 1,3-thiazol-5-ylméthyle

[5S-(5R*,8R*,10R*,11R*)]-10-Hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-2,4,7,12-tetraazatridecan-13-oic acid 5-thiazolylmethyl ester

1,3-thiazol-5-ylmethyl [(1S,2S,4S)-1-benzyl-2-hydroxy-4-({(2S)-3-methyl-2-[(methyl{[2-(1-methylethyl)-1,3-thiazol-4-yl]methyl}carbamoyl)amino]butanoyl}amino)-5-phenylpentyl]carbamate

1,3-Thiazol-5-ylmethyl-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-({(2S)-3-methyl-2-[(methyl{[2-(1-methylethyl)-1,3-thiazol-4-yl]methyl}carbamoyl)amino]butanoyl}amino)-5-phenylpentyl]carbamat

155213-67-5 [RN]

Abbott 84538

Acide (1E,2S)-N-[(2S,4S,5S)-4-hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylméthoxy)méthylène]amino}-1,6-diphényl-2-hexanyl]-2-[(E)-(hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)amino}méthylène)ami no]-3-méthylbutanimidique [French] [ACD/IUPAC Name]

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Butanimidic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(1E)-hydroxy(5-thiazolylmethoxy)methylene]amino]-5-phenyl-1-(phenylmethyl)pentyl]-2-[[(1E)-hydroxy[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]meth ylene]amino]-3-methyl-, (1E,2S)- [ACD/Index Name]

carbamic acid, [(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl es

carbamic acid, [(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester

Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]

carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester

MFCD00927142 [MDL number]

N-[(1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl]-N²-(methyl{[2-(1-methylethyl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N²-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamid [German] [ACD/IUPAC Name]

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N²-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamide [ACD/IUPAC Name]

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N²-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-L-valinamide [French] [ACD/IUPAC Name]

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N²-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamide

N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

Norvir [Trade name]

O3J8G9O825

Ritonavir [JAN] [USAN] [Wiki]

XA5310000

Norvir Sec

((1S,2S,4S)-1-Benzyl-2-hydroxy-4-{(S)-2-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-3-methyl-butyrylamino}-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester

(1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate

(1-Benzyl-2-hydroxy-4-{2-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-3-methyl-butyrylamino}-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester

[155213-67-5] [RN]

1,3-thiazol-5-ylmethyl n-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-dipheny

1,3-Thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate

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}butanamido]-1,6-diphenylhexan-2-yl]carbamate

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-di(phenyl)hexan-2-yl]carbamate

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

1217720-20-1 [RN]

2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-

2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester,(5S,8S,10S,11S)-

2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3, 6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S,8S,10S,11S)-

2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-

5-Thiazolylmethyl ((αS)-α-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate

5-Thiazolylmethyl ((αS)-α-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate

A 84538; ABT 538; Abbott 84538; NSC 693184; Norvir; RTV

A-84538ABT-538MFCD00927142

ABBOTT-84538

ABT 84538

ABT538

ABT-538 | A-84538 | Abbot 84538 |

Busvir

Busvir (Trade name)

Busvir; Empetus; Normune

Empetus

Empetus (Trade name)

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL163/

KS-5017

MLS000759541

N-[(1S,2S,4S)-1-(benzyl)-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamic acid thiazol-5-ylmethyl ester

N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-2-[[[(2-isopropyl-4-thiazolyl)methyl-methylamino]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 5-thiazolylmethyl ester

N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N²-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

NCGC00159462-02

Normune

Norvir (TM)

Norvir (TN)

Norvir®

NSC 693184

Pharmakon1600-01502391

RIT

Ritonavir - Labeled d6

Ritonavir (JAN/USAN/INN)

ritonavir labeled d6

ritonavir(abt-538)

Ritonavir; Ritonavirum

Ritonavir-d6

Ritonavire

Ritonavirmissing

Ritonavirum

RTV

SMR000466395

thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate

thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate

thiazol-5-ylmethyl N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]carbamate

UNII:O3J8G9O825

UNII-O3J8G9O825

ритонавир [Russian]

ريتونافير [Arabic]

利托那韦 [Chinese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7449 [DBID]

A 84538 [DBID]

A-84538 [DBID]

ABT 538 [DBID]

ABT-538 [DBID]

DRG 0244 [DBID]

AIDS028478 [DBID]

AIDS-028478 [DBID]

C07240 [DBID]

D00427 [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Solubility:

Miscellaneous

Safety:

J05AE03 Wikidata Q422618
Target Organs:

HIV Protease inhibitor TargetMol T1525

Chemical Class:

Bio Activity:

Anti-infection MedChem Express HY-90001

Anti-infection; Metabolism/Protease; MedChem Express HY-90001

Enzymes Tocris Bioscience 5856

HIV MedChem Express HY-90001

HIV HIV Protease MedChem Express HY-90001

HIV Protease TargetMol T1525

HIV-1 and HIV-2 protease inhibitor Tocris Bioscience 5856

HIV-1 and HIV-2 protease inhibitor (EC50 values are 0.022-0.13 and 0.16 ?M, respectively). Blocks the metabolism of protease inhibitors by liver enzyme cytochrome P450-3A4 (CYP3A4). Orally bioavailable. Tocris Bioscience 5856

HIV-1 and HIV-2 protease inhibitor (EC50 values are 0.022-0.13 and 0.16 muM, respectively). Blocks the metabolism of protease inhibitors by liver enzyme cytochrome P450-3A4 (CYP3A4). Orally bioavailable. Tocris Bioscience 5856

Other Proteases Tocris Bioscience 5856

Proteases Tocris Bioscience 5856

Proteases/Proteasome; Microbiology & Virology TargetMol T1525

Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS. MedChem Express

Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS.; IC50 Value:; Target: HIV Protease; HIV; Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS. MedChem Express HY-90001

Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS.;IC50 Value:;Target: HIV Protease; HIVRitonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS. It is now rarely used for its own antiviral activity, but remains widely used as a booster of other protease inhibitors. More specifically, ritonavir is used to inhibit a particular liver enzyme that normally metabolizes protease inhibitors, cytochrome P450-3A4 (CYP3A4). The drug?s molecular structure inhibits CYP3A4, so a low dose can be used to enhance other protease inhibitors. This discovery has drastically reduced the adverse effects and improved the efficacy of PI?s and HAART. MedChem Express HY-90001

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:	947.0±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	144.4±3.0 kJ/mol
Flash Point:	526.6±34.3 °C
Index of Refraction:	1.600
Molar Refractivity:	198.9±0.3 cm³
#H bond acceptors:	11
#H bond donors:	4
#Freely Rotating Bonds:	18
#Rule of 5 Violations:	3

ACD/LogP:	5.28
ACD/LogD (pH 5.5):	5.09
ACD/BCF (pH 5.5):	4357.80
ACD/KOC (pH 5.5):	14000.30
ACD/LogD (pH 7.4):	5.09
ACD/BCF (pH 7.4):	4363.16
ACD/KOC (pH 7.4):	14017.54
Polar Surface Area:	202 Å²
Polarizability:	78.9±0.5 10^-24cm³
Surface Tension:	53.7±3.0 dyne/cm
Molar Volume:	581.7±3.0 cm³

Click to predict properties on the Chemicalize site

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Ritonavir

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