Azonosítás

Cevimeline N-Oxide

CAS 469890-14-0 · C10H17NO2S

01Azonosítás

Lazychem IDLC-10357
CAS RN469890-14-0
PubChem CID91810650
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

02Szerkezet és sztereokémia

2D structurePubChem CID 91810650
Two-dimensional chemical structure of Cevimeline N-Oxide, CAS 469890-14-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@H]1O[C@@]2(C[N+]3(CCC2CC3)[O-])CS1
InChINincs megadva

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
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.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

API és anyavegyület

Cevimeline

Szennyezők és rokon vegyületek

Nevek és kapcsolatok

  • Cevimeline N-Oxide
  • 469890-14-0
  • SFN0QB7EYE
  • UNII-SFN0QB7EYE
  • Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, 1-oxide, (2'R,3R)-rel-
  • RefChem:124735
  • 690-624-5
  • (2S,5'S)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolan]-4-ium-4-olate
  • Q27289186

Szennyezők és rokon vegyületek

06Források