Chemical identity

Pretomanid R-Isomer

CAS 1105708-11-9 · C14H12F3N3O5

01Identity

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

Lazychem IDLC-25970
PubChem CID6320903
NamePretomanid R-Isomer
CAS RN1105708-11-9
Molecular formulaC14H12F3N3O5
Molecular weight359.26 g/mol
IUPAC name(R)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChIKeyZLHZLMOSPGACSZ-LLVKDONJSA-N

02Structure identifiers

2D structurePubChem CID 6320903
Two-dimensional chemical structure of Pretomanid R-Isomer, CAS 1105708-11-9
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, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
InChINot listed
Formula from structureC14H12F3N3O5
Molecular weight from structure359.26 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 1105708-11-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1105708-11-9 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

Pretomanid

View API and impurity family

Other names

  • (6R)-2-nitro-6-{[4-(trifluoromethoxy)phenyl]methoxy}-5H, 6H, 7H-imidazo[2, 1-b][1, 3]oxazine
  • [(6R)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6, 7-dihydro-5H-imidazo[2, 1-b][1, 3]oxazin-2-yl]azinic acid
  • {4-[((3R)-6-Nitro(2H, 3H, 4H-imidazolo[2, 1-b]1, 3-oxazaperhydroin-3-yloxy))methyl]phenoxy}trifluoromethane

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