Chemical identity

Quinidine N-Oxide

CAS 70116-00-6 · C20H24N2O3

01Identity

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

Lazychem IDLC-26448
PubChem CID23622544
NameQuinidine N-Oxide
CAS RN70116-00-6
Molecular formulaC20H24N2O3
Molecular weight340.42 g/mol
IUPAC name(1R,2R,4S,5R)-2-((S)-hydroxy(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidine 1-oxide
InChIKeyWVDIZKMXQMCCAA-ROCUERRRSA-N

02Structure identifiers

2D structurePubChem CID 23622544
2D structure: Quinidine N-Oxide, CAS 70116-00-6
Structure of Quinidine N-Oxide (CAS 70116-00-6). LazyChem record. Source identity: PubChem CID 23622544. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H24N2O3
InChIKeyWVDIZKMXQMCCAA-ROCUERRRSA-N
Ring count5
Defined stereocentres5
Unassigned stereocentres0
SMILESCOC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O
InChIInChI=1S/C20H24N2O3/c1-3-13-12-22(24)9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(25-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-,22+/m0/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 70116-00-6 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 70116-00-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Quinidine

View API and impurity family

Other names

  • quinidine-N-oxide
  • Cinchonan-9-ol, 6'-methoxy-, 1-oxide, (9S)-
  • (S)-[(1R,2R,4S,5R)-5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
  • UNII-T0RV6T22HZ
  • HY-130318

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