API and parent drug

Ramelteon

CAS 196597-26-9 · C16H21NO2 · 23 related records

01API identity and structure

2D structurePubChem CID 208902
2D structure: Ramelteon, CAS 196597-26-9
Structure of Ramelteon (CAS 196597-26-9). LazyChem record. Source identity: PubChem CID 208902. Confirm the identifiers before analytical use.Download structure image
API / medicine nameRamelteon
CAS RN196597-26-9
PubChem CID208902
Molecular formulaC16H21NO2
Molecular weight259.34 g/mol
IUPAC nameN-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
Defined stereocentres1
Unassigned stereocentres0
SMILESCCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
InChINot listed
InChIKeyYLXDSYKOBKBWJQ-LBPRGKRZSA-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

3 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 196597-26-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources