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Molecule record

(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C20H19F2N3O5

419.38 g/mol

Loading structure

Molecular properties

Formula
C20H19F2N3O5
Molar mass
419.38 g·mol−1
Exact mass
419.1293 Da
12
PubChem CID
54726191

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Ether
Phenol
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1051375-16-6
  • CHEBI:76010
  • DKO1W9H7M1
  • DOLUTEGRAVIR [VANDF]
  • DTXCID701338419
  • DTXSID90909356
  • Dolutegravir
  • Dolutegravir (0.1 mg/mL in Methanol)
Show all 24 synonyms
  • Dolutegravir (GSK1349572)
  • Dolutegravir DTG
  • Dolutegravir [USAN:INN]
  • Dolutegravir [USAN]
  • GSK 1349572
  • GSK1349572
  • GSK1349572A
  • HSDB 8152
  • J05AX12
  • RefChem:56964
  • S-349572
  • S/GSK1349572
  • SCHEMBL82071
  • Tivicay
  • Tivicay (TN)
  • dolutegravirum

Structure identifiers

Canonical SMILES
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
Isomeric SMILES
C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
InChI
InChI=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
InChIKey
RHWKPHLQXYSBKR-BMIGLBTASA-N
PubChem CID
54726191

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4… - Formula, Structure | ChemArche