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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H20F3NO10S
Molecular Weight 559.466
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PT-3317

SMILES

CS(=O)(=O)C1=CC=C(OC2=CC(=CC(F)=C2)C#N)C3=C1[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](F)[C@@H]3F

InChI

InChIKey=VKJUABJEUKXTOH-VCMREBBDSA-N
InChI=1S/C23H20F3NO10S/c1-38(33,34)12-3-2-11(35-10-5-8(7-27)4-9(24)6-10)13-14(12)20(16(26)15(13)25)36-23-19(30)17(28)18(29)21(37-23)22(31)32/h2-6,15-21,23,28-30H,1H3,(H,31,32)/t15-,16-,17+,18+,19-,20+,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H20F3NO10S
Molecular Weight 559.466
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:20:57 GMT 2025
Edited
by admin
on Wed Apr 02 20:20:57 GMT 2025
Record UNII
DF5ND8JZ4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PT3317
Preferred Name English
PT-3317
Code English
?-D-Glucopyranosiduronic acid, (1S,2S,3R)-4-(3-cyano-5-fluorophenoxy)-2,3-difluoro-2,3-dihydro-7-(methylsulfonyl)-1H-inden-1-yl
Systematic Name English
(2S,3S,4S,5R,6S)-6-(((1S,2S,3R)-4-(3-Cyano-5-fluorophenoxy)-2,3-difluoro-7-(methylsulfonyl)-2,3-dihydro-1H-inden-1-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Systematic Name English
(1S,2S,3R)-4-(3-Cyano-5-fluorophenoxy)-2,3-difluoro-2,3-dihydro-7-(methylsulfonyl)-1H-inden-1-yl ?-D-glucopyranosiduronic acid
Systematic Name English
Belzutifan metabolite M16
Common Name English
Code System Code Type Description
FDA UNII
DF5ND8JZ4R
Created by admin on Wed Apr 02 20:20:57 GMT 2025 , Edited by admin on Wed Apr 02 20:20:57 GMT 2025
PRIMARY
CAS
2370102-07-9
Created by admin on Wed Apr 02 20:20:57 GMT 2025 , Edited by admin on Wed Apr 02 20:20:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
In humans, the metabolite exposure was approximately 30% of belzutifan exposure.
MAJOR
PLASMA