Chemical identity

Dehydro Palonosetron

CAS 1227162-75-5 · C18H22N2O

01Identity

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

Lazychem IDLC-12182
PubChem CID58420449
NameDehydro Palonosetron
CAS RN1227162-75-5
Molecular formulaC18H22N2O
Molecular weight282.4 g/mol
IUPAC nameN-[(S)-1-Azabicyclo[2.2.2]oct-3-yl]-5,6-dihydro-1-naphthalene carboxamide
InChIKeyJRYSITMMKDCXIF-QGZVFWFLSA-N

02Structure identifiers

2D structurePubChem CID 58420449
2D structure: Dehydro Palonosetron, CAS 1227162-75-5
Structure of Dehydro Palonosetron (CAS 1227162-75-5). LazyChem record. Source identity: PubChem CID 58420449. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H22N2O
InChIKeyJRYSITMMKDCXIF-QGZVFWFLSA-N
Ring count5
Defined stereocentres1
Unassigned stereocentres0
SMILESC1CC2=C(C=C1)C(=CC=C2)C(=O)N[C@@H]3CN4CCC3CC4
InChIInChI=1S/C18H22N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h2-3,5-7,14,17H,1,4,8-12H2,(H,19,21)/t17-/m1/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 1227162-75-5 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 1227162-75-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Serotonin

View API and impurity family

Other names

  • N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-5, 6-dihydro-1-naphthalenecarboxamide
  • (S)-N-(Quinuclidin-3-yl)-5, 6-dihydronaphthalene-1-carboxamide
  • 1-Naphthalenecarboxamide, N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-5, 6-dihydro-

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