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Details

Stereochemistry ACHIRAL
Molecular Formula C35H23Cl2F7N6O5
Molecular Weight 811.489
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-FLUOROPHENOXY)PHENOXY)-N-METHYLPICOLINAMIDE

SMILES

CNC(=O)C1=CC(OC2=CC(OC3=CC(F)=C(NC(=O)NC4=CC(=C(Cl)C=C4)C(F)(F)F)C=C3)=C(NC(=O)NC5=CC(=C(Cl)C=C5)C(F)(F)F)C=C2)=CC=N1

InChI

InChIKey=QRLYAHWXHYKLQM-UHFFFAOYSA-N
InChI=1S/C35H23Cl2F7N6O5/c1-45-31(51)29-15-21(10-11-46-29)54-20-5-9-28(50-33(53)48-18-3-7-25(37)23(13-18)35(42,43)44)30(16-20)55-19-4-8-27(26(38)14-19)49-32(52)47-17-2-6-24(36)22(12-17)34(39,40)41/h2-16H,1H3,(H,45,51)(H2,47,49,52)(H2,48,50,53)

HIDE SMILES / InChI

Molecular Formula C35H23Cl2F7N6O5
Molecular Weight 811.489
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 10:39:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:39:49 GMT 2023
Record UNII
GY0A8K2GHF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-FLUOROPHENOXY)PHENOXY)-N-METHYLPICOLINAMIDE
Systematic Name English
REGORAFENIB MONOHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
125337923
Created by admin on Sat Dec 16 10:39:49 GMT 2023 , Edited by admin on Sat Dec 16 10:39:49 GMT 2023
PRIMARY
CAS
2098799-13-2
Created by admin on Sat Dec 16 10:39:49 GMT 2023 , Edited by admin on Sat Dec 16 10:39:49 GMT 2023
PRIMARY
FDA UNII
GY0A8K2GHF
Created by admin on Sat Dec 16 10:39:49 GMT 2023 , Edited by admin on Sat Dec 16 10:39:49 GMT 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
EP