Chemical identity

Cevimeline N-Oxide

CAS 469890-14-0 · C10H17NO2S

01Identity

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

Lazychem IDLC-10357
PubChem CID91810650
NameCevimeline N-Oxide
CAS RN469890-14-0
Molecular formulaC10H17NO2S
Molecular weight215.31
IUPAC name(2`R,3R)-rel-2`-Methylspiro[1-azabicyclo[2.2.2]octane-3,5`-oxathiolane] 1-Oxide
InChIKeyDWWHPWWQQISZCA-XEAZBWPWSA-N

02Structure identifiers

2D structurePubChem CID 91810650
2D structure: Cevimeline N-Oxide, CAS 469890-14-0
Structure of Cevimeline N-Oxide (CAS 469890-14-0). LazyChem record. Source identity: PubChem CID 91810650. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H17NO2S
InChIKeyDWWHPWWQQISZCA-XEAZBWPWSA-N
Ring count4
Defined stereocentres2
Unassigned stereocentres0
SMILESC[C@H]1O[C@@]2(C[N+]3(CCC2CC3)[O-])CS1
InChIInChI=1S/C10H17NO2S/c1-8-13-10(7-14-8)6-11(12)4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,9?,10-,11?/m0/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 469890-14-0 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 469890-14-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cevimeline

View API and impurity family

Other names

  • UNII-SFN0QB7EYE
  • Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, 1-oxide, (2'R,3R)-rel-
  • (2S,5'S)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolan]-4-ium-4-olate

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