Chemical identity

Dolutegravir Impurity B

CAS 1973402-05-9 · C20H19F2N3O5

01Identity

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

Lazychem IDLC-13315
PubChem CID155923124
NameDolutegravir Impurity B
CAS RN1973402-05-9
Molecular formulaC20H19F2N3O5
Molecular weight419.38 g/mol
IUPAC nameN-[(2,4-Difluorophenyl)methyl]-1,8-dihydro-9-hydroxy-2-[(1R)-3-hydroxy-1-methylpropyl]-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
InChIKeyNQVIDZANHVWALI-LLVKDONJSA-N

02Structure identifiers

2D structurePubChem CID 155923124
Two-dimensional chemical structure of Dolutegravir Impurity B, CAS 1973402-05-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CCO)N1C=CN2C=C(C(=O)C(=C2C1=O)O)C(=O)NCC3=C(C=C(C=C3)F)F
InChINot listed
Formula from structureC20H19F2N3O5
Molecular weight from structure419.38 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 1973402-05-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1973402-05-9 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

  • (R)-N-(2,4-Difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-2,8-dihydro-1H-pyrido[1,2-a]pyrazine-7-carboxamide

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