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Darunavir ethanolate

Molecular FormulaC₂₉H₄₃N₃O₈S
Average mass593.732 Da
Monoisotopic mass593.277100 Da
ChemSpider ID21230319

- 5 of 5 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]fur-3-yl-[(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamat-ethanol(1:1)

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate - ethanol (1:1)

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) [ACD/IUPAC Name]

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat -ethanol (1:1) [German] [ACD/IUPAC Name]

[(1S,2R)-3-{[(4-aminophényl)sulfonyl](2-méthylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]fur-3-yle - éthanol (1:1)

[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle - éthanol (1:1) [French] [ACD/IUPAC Name]

635728-49-3 [RN]

carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, compd. with ethanol (1:1)

Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, compd. with ethanol (1:1) [ACD/Index Name]

Darunavir (Ethanolate)

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Darunavir ethanolate

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate compound with ethanol (1:1)

(3R,3AS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate compound with ethanol (1:1)

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate; ethanol

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate and ethanol

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;ethanol

[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate

[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate

[14c]-darunavir ethanolate

D06478

Darunavir [INN] [USAN] [Wiki]

Darunavir ethanolate (JAN)

Darunavir Ethanolate (Prezista)

Darunavir Ethanolate(Prezista)

darunavir ethanolate

DARUNAVIR; ETHYL ALCOHOL

darunavir??ethanolate

Ethanol [ACD/Index Name] [ACD/IUPAC Name] [JP15] [Wiki]

Ethyl alcohol [ACD/IUPAC Name]

MFCD18251642

N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester

N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutylamino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester

PI-46469

Prezista [Wiki]

Prezista (TN)

Prezista, TMC114

Prezista;TMC114

TMC114

TMC114;TMC-114;TMC 114

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

33O78XF0BW [DBID]

TMC 114 [DBID]

TMC-114 [DBID]

UNII:33O78XF0BW [DBID]

UNII-33O78XF0BW [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Experimental Physico-chemical Properties
- Experimental Solubility:
  
  CHCL3 > 50 mg/ml MedChem Express HY-17041
  
  DMSO 119 mg/ml; Water <1 mg/ml MedChem Express HY-17041

Miscellaneous

Target Organs:

HIV Protease inhibitor TargetMol T2324

Bio Activity:

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

No predicted properties have been calculated for this compound.

Density:
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Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
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Click to predict properties on the Chemicalize site

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Darunavir ethanolate

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Experimental Solubility:

Target Organs:

Bio Activity:

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