API and parent drug

Pergolide Mesylate

CAS 66104-23-2 · C19H26N2S . CH4O3S · 5 related records

01API identity and structure

2D structurePubChem CID 47812
2D structure: Pergolide Mesylate, CAS 66104-23-2
Structure of Pergolide Mesylate (CAS 66104-23-2). LazyChem record. Source identity: PubChem CID 47812. Confirm the identifiers before analytical use.Download structure image
API / medicine namePergolide Mesylate
CAS RN66104-23-2
PubChem CID47812
Molecular formulaC19H26N2S . CH4O3S
Molecular weight410.59 g/mol
IUPAC name(6aR,9R,10aR)-9-[(Methylsulfanyl)methyl]-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline monomethanesulfonate
Defined stereocentres3
Unassigned stereocentres0
SMILESCCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
InChINot listed
InChIKeyUWCVGPLTGZWHGS-ZORIOUSZSA-N

02Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 66104-23-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources