Raltegravir potassium

C₂₀H₂₀FKN₆O₅CAS 871038-72-1482.51 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₀H₂₀FKN₆O₅
Molar mass: 482.51 g/mol
Exact mass: 482.1116 Da
logP: -2.72Crippen estimate
Polar surface area: 155.1 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

871038-72-1

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+]

InChIKey

IFUKBHBISRAZTF-UHFFFAOYSA-M

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

Weigh it out

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Work with Raltegravir potassium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Raltegravir518048-05-0Parent compound

Similar compounds

2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide518048-03-835 % similar Phenylmethyl N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]carbamate518048-02-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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