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Details

Stereochemistry ACHIRAL
Molecular Formula C27H22F2N6O5
Molecular Weight 548.4976
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(((CARBONYLBIS(AZANEDIYL))BIS(3-FLUORO-4,1-PHENYLENE))BIS(OXY))BIS(N-METHYLPICOLINAMIDE)

SMILES

CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=C(F)C=C(OC4=CC=NC(=C4)C(=O)NC)C=C3)C=C2)=CC=N1

InChI

InChIKey=FVLPWAWFQLLRPG-UHFFFAOYSA-N
InChI=1S/C27H22F2N6O5/c1-30-25(36)23-13-17(7-9-32-23)39-15-3-5-21(19(28)11-15)34-27(38)35-22-6-4-16(12-20(22)29)40-18-8-10-33-24(14-18)26(37)31-2/h3-14H,1-2H3,(H,30,36)(H,31,37)(H2,34,35,38)

HIDE SMILES / InChI

Molecular Formula C27H22F2N6O5
Molecular Weight 548.4976
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:05:09 UTC 2023
Edited
by admin
on Sat Dec 16 15:05:09 UTC 2023
Record UNII
BV7WJE5JNH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-(((CARBONYLBIS(AZANEDIYL))BIS(3-FLUORO-4,1-PHENYLENE))BIS(OXY))BIS(N-METHYLPICOLINAMIDE)
Common Name English
REGORAFENIB MONOHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
78358474
Created by admin on Sat Dec 16 15:05:09 UTC 2023 , Edited by admin on Sat Dec 16 15:05:09 UTC 2023
PRIMARY
FDA UNII
BV7WJE5JNH
Created by admin on Sat Dec 16 15:05:09 UTC 2023 , Edited by admin on Sat Dec 16 15:05:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP