Search MNXref
 Feedback

dolutegravir

PropertiesImage
MNX_IDMNXM51523 Image of MNXM51523
referencechebi:76010
formulaC20H19F2N3O5
global charge0
mol weight419.384
InChIKeyRHWKPHLQXYSBKR-BMIGLBTASA-N
InChIInChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
SMILESC[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N12
MNX internals
InChI (mnx)InChI=1/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 Image of MNXM51523
SMILES (mnx)[CH3:1][C@@H:10]1[CH2:4][CH2:5][O:30][C@H:15]2[CH2:9][N:24]3[CH:8]=[C:13]([C:19](=[N:23][CH2:7][C:11]4=[C:14]([F:22])[CH:6]=[C:12]([F:21])[CH:3]=[CH:2]4)[OH:28])[C:17](=[O:26])[C:18]([OH:27])=[C:16]3[C:20](=[O:29])[N:25]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76010
chebi:76010
RHWKPHLQXYSBKR-BMIGLBTASA-N 		dolutegravir
(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
S/GSK1349572

kegg.drug:D10066
keggD:D10066
RHWKPHLQXYSBKR-BMIGLBTASA-N 		Dolutegravir (USAN)
Tivicay (TN)
hmdb:HMDB0251580
RHWKPHLQXYSBKR-UHFFFAOYSA-N 		Dolutegravir
N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-13-carboxamide

CHEBI:76014
chebi:76014
RHWKPHLQXYSBKR-BMIGLBTASA-M 		dolutegravir(1-)
(4R,12aS)-9-[(2,4-difluorobenzyl)carbamoyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate
dolutegravir anion

keggD:M_D10066 		secondary/obsolete/fantasy identifier