Chemical identity

N-[(S)-1-Azabicyclo[2,2,2]oct-3-yl]-5,6,7,8-tetrahydro-1-naphthelene carboxamide

CAS 135729-78-1 · C18H24N2O

01Identity

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

Lazychem IDLC-20987
PubChem CID15656845
NameN-[(S)-1-Azabicyclo[2,2,2]oct-3-yl]-5,6,7,8-tetrahydro-1-naphthelene carboxamide
CAS RN135729-78-1
Molecular formulaC18H24N2O
Molecular weight284.40 g/mol
IUPAC name(S)-N-(1-Azabicyclo[2.2.2]oct-3-yl)-5,6,7,8-tetrahydro-1-naphthalenecarboxamide
InChIKeyUKUDKGCYXPIZRH-QGZVFWFLSA-N

02Structure identifiers

2D structurePubChem CID 15656845
Two-dimensional chemical structure of N-[(S)-1-Azabicyclo[2,2,2]oct-3-yl]-5,6,7,8-tetrahydro-1-naphthelene carboxamide, CAS 135729-78-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CCC2=C(C1)C=CC=C2C(=O)N[C@@H]3CN4CCC3CC4
InChINot listed
Formula from structureC18H24N2O
Molecular weight from structure284.40 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

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.

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 FOUNDCAS 135729-78-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 135729-78-1 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.

05Names and relationships

Associated parent compound

Palonosetron

View API and impurity family

Other names

  • N-((3S)-1-Azabicyclo(2.2.2)oct-3-yl) 5,6,7,8-tetrahydronaphthalene-1-carboxamide
  • 135729-78-1
  • RefChem:359631
  • (S)-N-(Quinuclidin-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
  • 1-Naphthalenecarboxamide,N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-5,6,7,8-tetrahydro-
  • UKUDKGCYXPIZRH-QGZVFWFLSA-N
  • N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl] 5,6,7,8-tetrahydronaphthalene-1-carboxamide
  • (R)-N-1-azabicyclo[2.2.2]oct-3-yl-5,6,7,8-tetrahydro-1-naphthalenecarboxamide
  • SCHEMBL1159851
  • CHEMBL1195823
  • MFCD11113329
  • AKOS015967693

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