Iloperidone API | 133454-47-4

01API identity and structure

2D structure: Iloperidone, CAS 133454-47-4 — Structure of Iloperidone (CAS 133454-47-4). LazyChem record. Source identity: PubChem CID 71360. Confirm the identifiers before analytical use.Download structure image

API / medicine name	Iloperidone
CAS RN	133454-47-4
PubChem CID	71360
Molecular formula	C24H27FN2O4
Molecular weight	426.5 g/mol
IUPAC name	1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Defined stereocentres	0
Unassigned stereocentres	0

SMILES	CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
InChI	Not listed
InChIKey	XMXHEBAFVSFQEX-UHFFFAOYSA-N

02Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

03India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCS	NOT FOUND IN REVIEWED ENTRIES	No exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMET	NOT FOUND IN REVIEWED CAS ENTRIES	CAS 133454-47-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02

Records whose supplied identity data explicitly associates them with Iloperidone. Each link opens the exact chemical identity page. A PubChem impurity label is not treated as an official pharmacopoeial designation unless an exact reviewed source states it.

(1E)-(2,4-Difluorophenyl)-4-piperidinyl-methanone Oxime

691007-07-5

(2,4-Difluorophenyl)-4-piperidinylmethanone oxime, (Z)

691007-05-3

(E)-(2,4-difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride / Methanone Oxime

135634-18-3

1,1'-((propane-1,3-diylbis(oxy))bis(3-methoxy-4,1-phenylene))bis(ethan-1-one)

19417-90-4

1,2-Benzisoxazole, 6-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-3-(4-piperidinyl)

531524-17-1

2'-Hydroxy-3'-Methoxyacetophenone

703-98-0

Hydroxy Iloperidone / Iloperidone Metabolite P88

133454-55-4

Iloperidone Carboxylic Acid / Iloperidone Metabolite P95

475110-48-6

Iloperidone Chloropropoxy Impurity / 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-Ethanone

58113-30-7

Iloperidone Dimer Impurity

1375651-23-2

Iloperidone Hydroxypropoxy Impurity

1309041-89-1

Iloperidone Impurity 28

1400590-28-4

Iloperidone N-Oxide

1375651-09-4

Propioguaiacol

1835-14-9

05Sources

S01
PubChem compound record, CID 71360
Structure, identifiers and machine-readable properties for the API identity.
S02
NCBI website and molecular data policies
Reuse policy for NCBI molecular data. Vendor descriptions and contributed narrative text are not reproduced.
S03
Lazychem chemical records
Parent-family links use the supplied parent identity.

01API identity and structure

02Structural nitrosamine screen

03India status for this compound

04Impurities and related compounds

05Sources