Chemical identity

Dolutegravir (R,R)-Isomer

CAS 1357289-29-2 · C20H19F2N3O5

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13299
PubChem CID117853640
NameDolutegravir (R,R)-Isomer
CAS RN1357289-29-2
Molecular formulaC20H19F2N3O5
Molecular weight419.38 g/mol
IUPAC name(4R,12aR)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pPyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
InChIKeyRHWKPHLQXYSBKR-MEBBXXQBSA-N

02Structure identifiers

2D structurePubChem CID 117853640
Two-dimensional chemical structure of Dolutegravir (R,R)-Isomer, CAS 1357289-29-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1CCO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
InChINot listed
Formula from structureC20H19F2N3O5
Molecular weight from structure419.38 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1357289-29-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1357289-29-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Dolutegravir

View API and impurity family

Other names

  • 4-Epi-dolutegravir
  • 1357289-29-2
  • KA8ZEA9QPD
  • RefChem:1070572
  • Dolutegravir RR isomer
  • (3R,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
  • (4R,12aR)-N-((2,4-Difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide
  • 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-, (4R,12aR)-
  • Dolutegravir Impurity1
  • UNII-KA8ZEA9QPD
  • orb1738599
  • SCHEMBL16440360

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources