Chemical identity

Defluoro Paliperidone

CAS 1380413-60-4 · C23H28N4O3

01Identity

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

Lazychem IDLC-12151
PubChem CID131667424
NameDefluoro Paliperidone
CAS RN1380413-60-4
Molecular formulaC23H28N4O3
Molecular weight408.50 g/mol
IUPAC name3-(2-(4-(benzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
InChIKeyUAXLESNKOBLMFG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 131667424
Two-dimensional chemical structure of Defluoro Paliperidone, CAS 1380413-60-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESO=C1C(CCN2CCC(C3=NOC4=CC=CC=C34)CC2)=C(C)N=C5N1CCCC5O
InChINot listed
Formula from structureC23H28N4O3
Molecular weight from structure408.50 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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 1380413-60-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1380413-60-4 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

Paliperidone

View API and impurity family

Other names

  • Defluoro Paliperidone/ Paliperidone Impurity 46 (Free Base)
  • Defluoro Paliperidone
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-

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