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Details

Stereochemistry RACEMIC
Molecular Formula C22H22F3N5O2
Molecular Weight 446.4438
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zgwatinib monodeuterated

SMILES

[2H]C(NC1=CC(=CC2=C1C=C(C=N2)N3CCN(C)CC3)C(F)(F)F)C4=CC(=CC=C4)[N+]([O-])=O

InChI

InChIKey=JIYPGFPFAVEPFX-YSOHJTORSA-N
InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3/i13D

HIDE SMILES / InChI

Molecular Formula C22H22F3N5O2
Molecular Weight 446.4438
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:54:27 UTC 2023
Edited
by admin
on Sat Dec 16 19:54:27 UTC 2023
Record UNII
5NZ2A38SW2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zgwatinib monodeuterated
Common Name English
5-Quinolinamine, 3-(4-methyl-1-piperazinyl)-N-[(3-nitrophenyl)methyl-d]-7-(trifluoromethyl)-
Systematic Name English
SOMG-833 monodeuterated
Code English
Code System Code Type Description
PUBCHEM
90667608
Created by admin on Sat Dec 16 19:54:27 UTC 2023 , Edited by admin on Sat Dec 16 19:54:27 UTC 2023
PRIMARY
CAS
1452311-83-9
Created by admin on Sat Dec 16 19:54:27 UTC 2023 , Edited by admin on Sat Dec 16 19:54:27 UTC 2023
PRIMARY
FDA UNII
5NZ2A38SW2
Created by admin on Sat Dec 16 19:54:27 UTC 2023 , Edited by admin on Sat Dec 16 19:54:27 UTC 2023
PRIMARY
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