API and parent drug

Ropivacaine

CAS 84057-95-4 · C17H26N2O · 10 related records

01API identity and structure

2D structurePubChem CID 175805
2D structure: Ropivacaine, CAS 84057-95-4
Structure of Ropivacaine (CAS 84057-95-4). LazyChem record. Source identity: PubChem CID 175805. Confirm the identifiers before analytical use.Download structure image
API / medicine nameRopivacaine
CAS RN84057-95-4
PubChem CID175805
Molecular formulaC17H26N2O
Molecular weight274.4 g/mol
IUPAC name(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Defined stereocentres1
Unassigned stereocentres0
SMILESCCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
InChINot listed
InChIKeyZKMNUMMKYBVTFN-HNNXBMFYSA-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 84057-95-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources