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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClF3N4O5
Molecular Weight 496.824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-72-1974

SMILES

OCNC(=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=NRLACVMAPMZTFC-UHFFFAOYSA-N
InChI=1S/C21H16ClF3N4O5/c22-17-6-3-13(9-16(17)21(23,24)25)28-20(32)27-12-1-4-14(5-2-12)34-15-7-8-29(33)18(10-15)19(31)26-11-30/h1-10,30H,11H2,(H,26,31)(H2,27,28,32)

HIDE SMILES / InChI

Molecular Formula C21H16ClF3N4O5
Molecular Weight 496.824
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 09:14:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:50 GMT 2023
Record UNII
S43YV45MJ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-72-1974
Common Name English
HOM-SRF-NOX
Common Name English
4-(4-(((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)AMINO)PHENOXY)-N-(HYDROXYMETHYL)PYRIDINE-2-CARBOXAMIDE 1-OXIDE
Systematic Name English
HOM-SRF N-OXIDE
Common Name English
2-PYRIDINECARBOXAMIDE, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)PHENOXY)-N-(HYDROXYMETHYL)-, 1-OXIDE
Systematic Name English
SORAFENIB METABOLITE M-1
Common Name English
Code System Code Type Description
PUBCHEM
10152292
Created by admin on Sat Dec 16 09:14:50 GMT 2023 , Edited by admin on Sat Dec 16 09:14:50 GMT 2023
PRIMARY
CAS
583840-05-5
Created by admin on Sat Dec 16 09:14:50 GMT 2023 , Edited by admin on Sat Dec 16 09:14:50 GMT 2023
PRIMARY
FDA UNII
S43YV45MJ6
Created by admin on Sat Dec 16 09:14:50 GMT 2023 , Edited by admin on Sat Dec 16 09:14:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE