API and parent drug

Lumateperone

CAS 313368-91-1 · C24H28FN3O · 9 related records

01API identity and structure

2D structurePubChem CID 21302490
2D structure: Lumateperone, CAS 313368-91-1
Structure of Lumateperone (CAS 313368-91-1). LazyChem record. Source identity: PubChem CID 21302490. Confirm the identifiers before analytical use.Download structure image
API / medicine nameLumateperone
CAS RN313368-91-1
PubChem CID21302490
Molecular formulaC24H28FN3O
Molecular weight393.5 g/mol
IUPAC name1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Defined stereocentres2
Unassigned stereocentres0
SMILESCN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
InChINot listed
InChIKeyHOIIHACBCFLJET-SFTDATJTSA-N

02Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

4 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.

03Structural 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.

04India status for this compound

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

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo 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.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 313368-91-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources