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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H23ClN2O9S
Molecular Weight 550.965
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6'-HYDROXYMETHYL-ETORICOXIB GLUCURONIDE

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(Cl)=CN=C2C3=CC=C(CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)N=C3

InChI

InChIKey=UJWKCNOGFMSHNK-QMDPOKHVSA-N
InChI=1S/C24H23ClN2O9S/c1-37(33,34)16-6-3-12(4-7-16)17-8-14(25)10-27-18(17)13-2-5-15(26-9-13)11-35-24-21(30)19(28)20(29)22(36-24)23(31)32/h2-10,19-22,24,28-30H,11H2,1H3,(H,31,32)/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H23ClN2O9S
Molecular Weight 550.965
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

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
N5ED8OAI8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6'-HYDROXYMETHYL-ETORICOXIB GLUCURONIDE
Common Name English
(5-CHLORO-3-(4-(METHYLSULFONYL)PHENYL)(2,3'-BIPYRIDIN)-6'-YL)METHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
6'-DESMETHYL-6'-METHYLHYDROXY ETORICOXIB-.BETA.-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5-CHLORO-3-(4-(METHYLSULFONYL)PHENYL)(2,3'-BIPYRIDIN)-6'-YL)METHYL
Systematic Name English
Code System Code Type Description
PUBCHEM
154731635
Created by admin on Sat Dec 16 18:05:47 UTC 2023 , Edited by admin on Sat Dec 16 18:05:47 UTC 2023
PRIMARY
CAS
349536-40-9
Created by admin on Sat Dec 16 18:05:47 UTC 2023 , Edited by admin on Sat Dec 16 18:05:47 UTC 2023
PRIMARY
FDA UNII
N5ED8OAI8F
Created by admin on Sat Dec 16 18:05:47 UTC 2023 , Edited by admin on Sat Dec 16 18:05:47 UTC 2023
PRIMARY
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