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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32F2N6O9
Molecular Weight 586.5425
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((2S,4S)-2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-1-PYRROLIDINECARBOXYLATE)

SMILES

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

InChI

InChIKey=WJFYIIZQOWPJRA-LPRKUSKOSA-N
InChI=1S/C24H32F2N6O9/c25-24(26)2-5-31(12-24)19(36)14-10-13(29-6-8-30(9-7-29)22-27-3-1-4-28-22)11-32(14)23(39)41-21-17(35)15(33)16(34)18(40-21)20(37)38/h1,3-4,13-18,21,33-35H,2,5-12H2,(H,37,38)/t13-,14-,15-,16-,17+,18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32F2N6O9
Molecular Weight 586.5425
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 16:09:17 UTC 2023
Edited
by admin
on Sat Dec 16 16:09:17 UTC 2023
Record UNII
7B38O293HC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((2S,4S)-2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-1-PYRROLIDINECARBOXYLATE)
Systematic Name English
PF-00734200 METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
118753123
Created by admin on Sat Dec 16 16:09:18 UTC 2023 , Edited by admin on Sat Dec 16 16:09:18 UTC 2023
PRIMARY
FDA UNII
7B38O293HC
Created by admin on Sat Dec 16 16:09:18 UTC 2023 , Edited by admin on Sat Dec 16 16:09:18 UTC 2023
PRIMARY
CAS
1424328-23-3
Created by admin on Sat Dec 16 16:09:18 UTC 2023 , Edited by admin on Sat Dec 16 16:09:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
Metabolite M9 could not be chromatographically resolved in human urine.
URINE