API and parent drug

Modafinil

CAS 68693-11-8 · C15H15NO2S · 7 related records

01API identity and structure

2D structurePubChem CID 4236
2D structure: Modafinil, CAS 68693-11-8
Structure of Modafinil (CAS 68693-11-8). LazyChem record. Source identity: PubChem CID 4236. Confirm the identifiers before analytical use.Download structure image
API / medicine nameModafinil
CAS RN68693-11-8
PubChem CID4236
Molecular formulaC15H15NO2S
Molecular weight273.4 g/mol
IUPAC name2-benzhydrylsulfinylacetamide
Defined stereocentres0
Unassigned stereocentres1
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N
InChINot listed
InChIKeyYFGHCGITMMYXAQ-UHFFFAOYSA-N

02Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
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.

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 68693-11-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources