Chemical identity

Rotigotine EP Impurity C (HCl Salt)

CAS not listed · C16H20ClNOS

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-27530
PubChem CID176483223
NameRotigotine EP Impurity C (HCl Salt)
CAS RNNot listed
Molecular formulaC16H20ClNOS
Molecular weight309.85 g/mol
IUPAC name(S)-6-((2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
InChIKeyHELZWKDYJGTQRU-ZOWNYOTGSA-N

02Structure identifiers

2D structurePubChem CID 176483223
2D structure: Rotigotine EP Impurity C (HCl Salt)
Structure of Rotigotine EP Impurity C (HCl Salt). LazyChem record. Source identity: PubChem CID 176483223. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H20ClNOS
InChIKeyHELZWKDYJGTQRU-ZOWNYOTGSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESC1CC2=C(C[C@H]1NCCC3=CC=CS3)C=CC=C2O.Cl
InChIInChI=1S/C16H19NOS.ClH/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14;/h1-5,10,13,17-18H,6-9,11H2;1H/t13-;/m0./s1

03Stereochemistry

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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Rotigotine EP Impurity C (HCl Salt)
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Rotigotine

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources