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Darunavir Ethanolate

CAT: 0024-sc-499936Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-499936Size:5 mg
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CAS Number
635728-49-3

Chemical Information

Darunavir Ethanolate

Darunavir (brand name: Prezista) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults and children. Darunavir is always used with a pharmacokinetic enhancer in combination with other HIV medicines. Currently, ritonavir is the only pharmacokinetic enhancer available for use with stand-alone darunavir.

CAS Number635728-49-3
PubChem CID23725083
IUPAC Name[(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
Molecular FormulaC29H43N3O8S
Molecular Weight593.7
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity856
SMILES
CCO.CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1
InChIKey
QWSHKNICRJHQCY-VBTXLZOXSA-N
Chemical Structure
2D Structure
2D structure of Darunavir Ethanolate
CAS: 635728-49-3
CID: 23725083
Formula: C29H43N3O8S
MW: 593.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass593.27708651
Monoisotopic Mass593.27708651
Topological Polar Surface Area169 Ų
Heavy Atom Count41
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-499935Darunavir N-β-D-Glucuronide Sodium Salt
sc-488827N-[ (1R,2S) -2-Hydroxy-3-[ (2-methylpropyl) [ (4-nitrophenyl) sulfonyl]amino]-1- (phenylmethyl) propyl]carbamic Acid 1,1-Dimethylethyl Ester (Darunavir Impurity)
sc-223579(3R,3aS,6aR) -Hexahydrofuro[2,3-b]furan-3-yl-4- (N- ((2R,3S) -3-amino-2-hydroxy-4-phenylbutyl) -N-isobutylsulfamoyl) phenylcarbamate (Darunavir Impurity)
sc-223580(3R,3aS,6aR) -Hexahydrofuro[2,3-b]furan-3-yl-4- (N- ((2R,3S) -3-amino- 2-hydroxy-4-phenylbutyl) -N-isobutyl-d9-sulfamoyl) phenylcarbamate (Darunavir-d9 Impurity)
sc-391373Diethyl N-[ (2-Phthalimido) oxy]ethyl-N, N-Di-ethanoate

Alternative Products

CatalogName
TRC-D193520-50MGDarunavir Ethanolate
bs-75605C-01Darunavir . ethanolate
HY-17041-01Darunavir (Ethanolate)

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