Chemical identity

Nicergoline EP Impurity C

CAS 35155-28-3 · C18H24N2O2

01Identity

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

Lazychem IDLC-23333
PubChem CID198149
NameNicergoline EP Impurity C
CAS RN35155-28-3
Molecular formulaC18H24N2O2
Molecular weight300.4 g/mol
IUPAC name1,6-Dimethyl-8β-(hydroxymethyl)-10α-methoxyergoline
InChIKeyLVXVIPZBNJSUKL-FOKFDTGNSA-N

02Structure identifiers

2D structurePubChem CID 198149
Two-dimensional chemical structure of Nicergoline EP Impurity C, CAS 35155-28-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESCN1C[C@@H](CC2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)CO
InChINot listed
Formula from structureC18H24N2O2
Molecular weight from structure300.4 g/mol

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of Nicergoline EP Impurity C with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Nicergoline EP Impurity C, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C17H21N3O3
Candidate SMILES
COC12C[C@@H](CO)CN(N=O)[C@@H]1Cc1cn(C)c3cccc2c13
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C17H21N3O3
Candidate SMILES
COC12C[C@@H](CO)CN(C)[C@@H]1Cc1cn(N=O)c3cccc2c13

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 / RCSNO EXACT MATCH FOUNDCAS 35155-28-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 35155-28-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

06Names and relationships

Associated parent compound

Nicergoline

View API and impurity family

Other names

  • Ergoline-8-beta-methanol, 1,6-dimethyl-10-methoxy-
  • EINECS 252-405-9
  • 1,6-Dimethyl-10-methoxyergoline-8-beta-methanol
  • RefChem:339684
  • 35155-28-3
  • SCHEMBL5444369
  • [(6aR,9R)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol

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