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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClN2O4S
Molecular Weight 390.841
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6'-METHYLHYDROXY ETORICOXIB N1'-OXIDE

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(Cl)=CN=C2C3=CC=C(CO)[N+]([O-])=C3

InChI

InChIKey=SSTJTMIIIMAQMR-UHFFFAOYSA-N
InChI=1S/C18H15ClN2O4S/c1-26(24,25)16-6-3-12(4-7-16)17-8-14(19)9-20-18(17)13-2-5-15(11-22)21(23)10-13/h2-10,22H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H15ClN2O4S
Molecular Weight 390.841
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:05:46 UTC 2023
Edited
by admin
on Sat Dec 16 18:05:46 UTC 2023
Record UNII
P2QB9XID3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6'-METHYLHYDROXY ETORICOXIB N1'-OXIDE
Common Name English
(2,3'-BIPYRIDINE)-6'-METHANOL, 5-CHLORO-3-(4-(METHYLSULFONYL)PHENYL)-, 1'-OXIDE
Systematic Name English
6'-DESMETHYL-6'-METHYLHYDROXY ETORICOXIB N1'-OXIDE
Common Name English
6'-HYDROXYMETHYL-ETORICOXIB-1'-N-OXIDE
Common Name English
Code System Code Type Description
FDA UNII
P2QB9XID3W
Created by admin on Sat Dec 16 18:05:46 UTC 2023 , Edited by admin on Sat Dec 16 18:05:46 UTC 2023
PRIMARY
CAS
570394-08-0
Created by admin on Sat Dec 16 18:05:46 UTC 2023 , Edited by admin on Sat Dec 16 18:05:46 UTC 2023
PRIMARY
PUBCHEM
154731560
Created by admin on Sat Dec 16 18:05:46 UTC 2023 , Edited by admin on Sat Dec 16 18:05:46 UTC 2023
PRIMARY
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