Products for Research Use Only
RegisterLogin

Lopinavir

CAT: 0498-bs-75596C-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0498-bs-75596C-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
192725-17-0
Conjugation
Unconjugated
Purity
>98% (1H-NMR)
Buffer
Solid
Solubility
Soluble in ethanol (20mg/ml), DMSO (15mg/ml) or dimtheylformamide (15mg/ml) .
Smiles
O=C1NCCCN1[C@@H](C(C)C)C(N[C@@H](CC2=CC=CC=C2)C[C@H](O)[C@H](CC3=CC=CC=C3)NC(COC4=C(C)C=CC=C4C)=O)=O
Molecular Formula
C37H48N4O5
Molecular Weight
628.8
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

Lopinavir

Lopinavir is a dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir. It has a role as an anticoronaviral agent, a HIV protease inhibitor and an antiviral drug. It is a member of amphetamines and a dicarboxylic acid diamide.

CAS Number192725-17-0
PubChem CID92727
IUPAC Name(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
Molecular FormulaC37H48N4O5
Molecular Weight628.8
XLogP5.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count46
Formal Charge0
Complexity940
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O
InChI
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
InChIKey
KJHKTHWMRKYKJE-SUGCFTRWSA-N
Chemical Structure
2D Structure
2D structure of Lopinavir
CAS: 192725-17-0
CID: 92727
Formula: C37H48N4O5
MW: 628.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.8
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass628.36247064
Monoisotopic Mass628.36247064
Topological Polar Surface Area120 Ų
Heavy Atom Count46
Formal Charge0
Complexity940
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8204-100Lopinavir

Popular Products