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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12ClF4N3O4
Molecular Weight 469.774
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)-3-FLUORO-PHENOXY)PYRIDINE-2-CARBOXYLIC ACID

SMILES

OC(=O)C1=NC=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1

InChI

InChIKey=BZESFMLUNMTDFR-UHFFFAOYSA-N
InChI=1S/C20H12ClF4N3O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)32-12-5-6-26-17(9-12)18(29)30/h1-9H,(H,29,30)(H2,27,28,31)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(4-((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)-3-FLUORO-PHENOXY)PYRIDINE-2-CARBOXYLIC ACID
Systematic Name English
2-PYRIDINECARBOXYLIC ACID, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)-3-FLUOROPHENOXY)-
Common Name English
REGORAFENIB METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
ZU2HG2Y956
Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023
PRIMARY
CAS
1187945-05-6
Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023
PRIMARY
PUBCHEM
49842244
Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of REGORAFENIB ANHYDROUS
NIH
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