Chemical identity

Rotigotine EP Impurity D / Ethyl rotigotine

CAS 1369625-04-6 · C18H23NOS

01Identity

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

Lazychem IDLC-27532
PubChem CID71152434
NameRotigotine EP Impurity D / Ethyl rotigotine
CAS RN1369625-04-6
Molecular formulaC18H23NOS
Molecular weight301.4 g/mol
IUPAC name(6S)-6-[Ethyl[2-(thiophen-2-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
InChIKeyMGQHYAUEAZJTOP-HNNXBMFYSA-N

02Structure identifiers

2D structurePubChem CID 71152434
2D structure: Rotigotine EP Impurity D / Ethyl rotigotine, CAS 1369625-04-6
Structure of Rotigotine EP Impurity D / Ethyl rotigotine (CAS 1369625-04-6). LazyChem record. Source identity: PubChem CID 71152434. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H23NOS
InChIKeyMGQHYAUEAZJTOP-HNNXBMFYSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O
InChIInChI=1S/C18H23NOS/c1-2-19(11-10-16-6-4-12-21-16)15-8-9-17-14(13-15)5-3-7-18(17)20/h3-7,12,15,20H,2,8-11,13H2,1H3/t15-/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.

04India 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 ENTRIESCAS 1369625-04-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1369625-04-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Rotigotine

View API and impurity family

Other names

  • Rotigotine EP Impurity D
  • Ethyl rotigotine
  • 1-Naphthalenol,6-[ethyl[2-(2-thienyl)ethyl]amino]-5,6,7,8-tetrahydro-,(6S)
  • N-Ethyl Rotigotine
  • UNII-BX28WNZ8X5
  • (S)-6-(Ethyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
  • (6S)-6-[ethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
  • (6S)-6-(Ethyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol
  • Rotigotine impurity D [EP]

Related records from the same parent family

06Documented 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.

07Sources