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Raltegravir potassium 5mg

CAT: 0628-A21403-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21403-5Size:5 mg
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CAS Number
871038-72-1

Chemical Information

Raltegravir Potassium

Raltegravir is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults and children. Raltegravir is approved under two different brand names: Isentress and Isentress HD.

CAS Number871038-72-1
PubChem CID23668479
IUPAC Namepotassium 4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
Molecular FormulaC20H20FKN6O5
Molecular Weight482.5
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity843
SMILES
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
InChI
InChI=1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1
InChIKey
IFUKBHBISRAZTF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Raltegravir Potassium
CAS: 871038-72-1
CID: 23668479
Formula: C20H20FKN6O5
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass482.11162741
Monoisotopic Mass482.11162741
Topological Polar Surface Area153 Ų
Heavy Atom Count33
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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