API and parent drug

Lorlatinib

CAS 1454846-35-5 · C21H19FN6O2 · 3 related records

01API identity and structure

2D structurePubChem CID 71731823
2D structure: Lorlatinib, CAS 1454846-35-5
Structure of Lorlatinib (CAS 1454846-35-5). LazyChem record. Source identity: PubChem CID 71731823. Confirm the identifiers before analytical use.Download structure image
API / medicine nameLorlatinib
CAS RN1454846-35-5
PubChem CID71731823
Molecular formulaC21H19FN6O2
Molecular weight406.4 g/mol
IUPAC name(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C
InChINot listed
InChIKeyIIXWYSCJSQVBQM-LLVKDONJSA-N

02Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
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.

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 1454846-35-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources