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Details

Stereochemistry RACEMIC
Molecular Formula C10H17NO2S
Molecular Weight 215.312
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEVIMELINE N-OXIDE

SMILES

C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3

InChI

InChIKey=DWWHPWWQQISZCA-XEAZBWPWSA-N
InChI=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

HIDE SMILES / InChI

Molecular Formula C10H17NO2S
Molecular Weight 215.312
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:10:19 UTC 2023
Edited
by admin
on Thu Jul 06 15:10:19 UTC 2023
Record UNII
SFN0QB7EYE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEVIMELINE N-OXIDE
Common Name English
SPIRO(1-AZABICYCLO(2.2.2)OCTANE-3,5'-(1,3)OXATHIOLANE), 2'-METHYL-, 1-OXIDE, (2'R,3R)-REL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40747306
Created by admin on Thu Jul 06 15:10:19 UTC 2023 , Edited by admin on Thu Jul 06 15:10:19 UTC 2023
PRIMARY
PUBCHEM
91810650
Created by admin on Thu Jul 06 15:10:19 UTC 2023 , Edited by admin on Thu Jul 06 15:10:19 UTC 2023
PRIMARY
CAS
469890-14-0
Created by admin on Thu Jul 06 15:10:19 UTC 2023 , Edited by admin on Thu Jul 06 15:10:19 UTC 2023
PRIMARY
FDA UNII
SFN0QB7EYE
Created by admin on Thu Jul 06 15:10:19 UTC 2023 , Edited by admin on Thu Jul 06 15:10:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
mainly catalyzed (In vitro) to sulfoxides and N-oxide by CYP2D6/3A4 in liver and FMO1 in kidney