Chemical identity

Pramipexole EP Impurity B/ Pramipexole BP Impurity B/ Pramipexole Disubstituted Impurity/ N-Propyl Pramipexole

CAS 1246815-83-7 · C13H23N3S

01Identity

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

Lazychem IDLC-25721
PubChem CID56604951
NamePramipexole EP Impurity B/ Pramipexole BP Impurity B/ Pramipexole Disubstituted Impurity/ N-Propyl Pramipexole
CAS RN1246815-83-7
Molecular formulaC13H23N3S
Molecular weight253.41 g/mol
IUPAC name(6S)-N,N′-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole2,6-diamine
InChIKeyNSHVRDSQVRQBFT-JTQLQIEISA-N

02Structure identifiers

2D structurePubChem CID 56604951
Two-dimensional chemical structure of Pramipexole EP Impurity B/ Pramipexole BP Impurity B/ Pramipexole Disubstituted Impurity/ N-Propyl Pramipexole, CAS 1246815-83-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESCCCN[C@H]1CCC2=C(C1)SC(=N2)NCCC
InChINot listed
Formula from structureC13H23N3S
Molecular weight from structure253.41 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
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

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

Matched amine site2 candidates
Chemical structure of Pramipexole EP Impurity B/ Pramipexole BP Impurity B/ Pramipexole Disubstituted Impurity/ N-Propyl Pramipexole 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 Pramipexole EP Impurity B/ Pramipexole BP Impurity B/ Pramipexole Disubstituted Impurity/ N-Propyl Pramipexole, 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
C13H22N4OS
Candidate SMILES
CCCNc1nc2c(s1)C[C@@H](N(CCC)N=O)CC2
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C13H22N4OS
Candidate SMILES
CCCN[C@H]1CCc2nc(N(CCC)N=O)sc2C1

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 1246815-83-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1246815-83-7 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

Pramipexole

View API and impurity family

Other names

  • Pramipexole EP Impurity B
  • Pramipexole Disubstituted Impurity
  • Pramipexole BP Impurity B
  • N-Propyl Pramipexole

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