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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClF3N4O4
Molecular Weight 480.824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-673472

SMILES

CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=CC=[N+]1[O-]

InChI

InChIKey=BQAZCCVUZDIZDC-UHFFFAOYSA-N
InChI=1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31)

HIDE SMILES / InChI

Molecular Formula C21H16ClF3N4O4
Molecular Weight 480.824
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 08:34:52 UTC 2023
Edited
by admin
on Sat Dec 16 08:34:52 UTC 2023
Record UNII
5XYK65KIGD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-673472
Common Name English
4-(4-(((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)AMINO)PHENOXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE 1-OXIDE
Systematic Name English
2-PYRIDINECARBOXAMIDE, 4-(4((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)PHENOXY)N-METHYL-,1-OXIDE
Systematic Name English
J2.910.287B
Code English
SORAFENIB METABOLITE M2
Common Name English
SORAFENIB N-OXIDE
Common Name English
4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-2-(METHYLCARBAMOYL)PYRIDINE 1-OXIDE
Systematic Name English
BAY-67-3472
Code English
SRF-NOX
Common Name English
SORAFENIB N OXIDE
Common Name English
Code System Code Type Description
PUBCHEM
9826472
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
CAS
583840-03-3
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID60431376
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
FDA UNII
5XYK65KIGD
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE