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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25F3N2O10S
Molecular Weight 602.534
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-METHYL-1-((4-METHYLSULFONYL-2-(TRIFLUOROMETHYL)PHENYL)METHYL)PYRROLO(2,3-B)PYRIDIN-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CC1=C(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CN=C3N1CC4=CC=C(C=C4C(F)(F)F)S(C)(=O)=O

InChI

InChIKey=MBOKRTPEPUPMNS-NABGWTBKSA-N
InChI=1S/C25H25F3N2O10S/c1-11-15(9-17(31)39-24-20(34)18(32)19(33)21(40-24)23(35)36)14-4-3-7-29-22(14)30(11)10-12-5-6-13(41(2,37)38)8-16(12)25(26,27)28/h3-8,18-21,24,32-34H,9-10H2,1-2H3,(H,35,36)/t18-,19-,20+,21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H25F3N2O10S
Molecular Weight 602.534
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 16:16:41 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:41 UTC 2023
Record UNII
WMF8QFQ5AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-METHYL-1-((4-METHYLSULFONYL-2-(TRIFLUOROMETHYL)PHENYL)METHYL)PYRROLO(2,3-B)PYRIDIN-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ACYL GLUCURONIDE METABOLITE OF FEVIPIPRANT
Common Name English
Code System Code Type Description
PUBCHEM
156596796
Created by admin on Sat Dec 16 16:16:41 UTC 2023 , Edited by admin on Sat Dec 16 16:16:41 UTC 2023
PRIMARY
FDA UNII
WMF8QFQ5AF
Created by admin on Sat Dec 16 16:16:41 UTC 2023 , Edited by admin on Sat Dec 16 16:16:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE
PARENT -> METABOLITE INACTIVE
FECAL
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA
PARENT -> METABOLITE INACTIVE
URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC