Chemical identity

Tetrabenazine Butyl Impurity

CAS not listed · C19H27NO3

01Identity

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

Lazychem IDLC-29316
PubChem CID317154
NameTetrabenazine Butyl Impurity
CAS RNNot listed
Molecular formulaC19H27NO3
Molecular weight317.42 g/mol
IUPAC name1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(n-butyl)-2H benzo[a] quinolizine-2- one
InChIKeyCXDIPZOEHIFPBF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 317154
Two-dimensional chemical structure of Tetrabenazine Butyl Impurity
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESO=C1C(CCCC)CN2CCC3=CC(OC)=C(OC)C=C3C2C1
InChINot listed
Formula from structureC19H27NO3
Molecular weight from structure317.42 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Tetrabenazine

View API and impurity family

Other names

  • 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(n-butyl)-2H benzo[a] quinolizine-2- one

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