Dolutegravir sodium
Properties
- Molecular formula
- C20H18F2N3NaO5
- Molar mass
- 441.37 g/mol
- Exact mass
- 441.1112 Da
- logP
- 1.55Crippen estimate
- Polar surface area
- 104.4 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 3
- Stereocentres
- R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
1051375-19-9SMILES
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2H-Pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, sodium salt (1:1), (4R,12aS)-
- GSK 1349572A
- Dolutegravir sodium salt
Work with Dolutegravir sodium
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.
Similar compounds
(4R,12As)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-[1,3]oxazino[3,2-D]pyrido[1,2-A]pyrazine-9-carboxamide1335210-35-978 % similar
Cabotegravir1051375-10-050 % similar
5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester1229006-21-648 % similar
7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-(1,3)oxazino(3,2-d)pyrido(1,2-a)pyrazine-9-carboxylic acid, (4R,12AS)-1335210-34-844 % similar
(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide1611493-60-735 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.