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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34F2N6O6
Molecular Weight 528.5495
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C[C@H](C[C@H]2C(=O)N3CCC(F)(F)C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChIKey=XEPYKZIDLULSRS-OXZOJPPVSA-N
InChI=1S/C23H34F2N6O6/c24-23(25)2-5-30(13-23)20(36)15-10-14(28-6-8-29(9-7-28)22-26-3-1-4-27-22)11-31(15)21-19(35)18(34)17(33)16(12-32)37-21/h1,3-4,14-19,21,32-35H,2,5-13H2/t14-,15-,16+,17+,18-,19+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34F2N6O6
Molecular Weight 528.5495
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:50:01 GMT 2023
Edited
by admin
on Sat Dec 16 16:50:01 GMT 2023
Record UNII
T71M9HVH8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE
Systematic Name English
PF-00734200 METABOLITE M15
Common Name English
Code System Code Type Description
FDA UNII
T71M9HVH8X
Created by admin on Sat Dec 16 16:50:01 GMT 2023 , Edited by admin on Sat Dec 16 16:50:01 GMT 2023
PRIMARY
PUBCHEM
118753339
Created by admin on Sat Dec 16 16:50:01 GMT 2023 , Edited by admin on Sat Dec 16 16:50:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE