Products for Research Use Only
RegisterLogin

Darunavir Ethanolate

CAT: 0572-TRC-D193520-5MGSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D193520-5MGSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
635728-49-3
Synonyms
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); 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) (9CI); Darunavir ethanolate
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCO.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4
Molecular Formula
C27 H37 N3 O7 S . C2 H6 O
Molecular Weight
593.73
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
Additionnal Information
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
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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
Loading 3D structure...
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

Related Products

CatalogName
TRC-E325620-10MGEchinacoside Ethanolate
TRC-E325620-50MGEchinacoside Ethanolate
TRC-D193500-10MGDarunavir
TRC-D193535-50MG(+)-Darunavir
TRC-E325620-5MGEchinacoside Ethanolate
TRC-D193500-50MGDarunavir
TRC-D193500-5MGDarunavir
TRC-H931750-25MGHydroxy Darunavir
TRC-D193537-50MG(+)-Darunavir-d9
TRC-D193625-25MGDarunavir Difuranyl

Alternative Products

CatalogName
bs-75605C-01Darunavir . ethanolate
BUP13492-01Darunavir Ethanolate
HY-17041-01Darunavir (Ethanolate)
MBS385987-01Darunavir Ethanolate (Prezista)

Popular Products