Chemical identity

Delamanid metabolite M1

CAS 1202875-92-0 · C23H26F3N3O4

01Identity

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

Lazychem IDLC-12199
PubChem CID44511499
NameDelamanid metabolite M1
CAS RN1202875-92-0
Molecular formulaC23H26F3N3O4
Molecular weight465.47 g/mol
IUPAC name(R)-5-methyl-5-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1-yl)phenoxy)methyl)-4,5-dihydrooxazol-2-amine
InChIKeyYDAIKJSLITWSBP-JOCHJYFZSA-N

02Structure identifiers

2D structurePubChem CID 44511499
Two-dimensional chemical structure of Delamanid metabolite M1, CAS 1202875-92-0
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC[C@@]1(CN=C(O1)N)COC2=CC=C(C=C2)N3CCC(CC3)OC4=CC=C(C=C4)OC(F)(F)F
InChINot listed
Formula from structureC23H26F3N3O4
Molecular weight from structure465.47 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

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 1202875-92-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1202875-92-0 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

Delamanid

View API and impurity family

Other names

  • Delamanid Impurity 2
  • Delamanid metabolite M1
  • 1202875-92-0
  • UNII-Y569TM2AT2
  • Y569TM2AT2
  • CHEMBL5202666
  • Dm-6705
  • (5R)-4,5-Dihydro-5-methyl-5-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-2-oxazolamine
  • 2-Oxazolamine, 4,5-dihydro-5-methyl-5-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-, (5R)-
  • (R)-5-methyl-5-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1-yl)phenoxy)methyl)-4,5-dihydrooxazol-2-amine
  • YDAIKJSLITWSBP-JOCHJYFZSA-N
  • BDBM50592583

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