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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17F2N3O3
Molecular Weight 349.332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-4441

SMILES

CC1(N)CN(C1)C2=C(F)C3=C(C=C2F)C(=O)C(=CN3C4CC4)C(O)=O

InChI

InChIKey=FEMZVDSBIXDODB-UHFFFAOYSA-N
InChI=1S/C17H17F2N3O3/c1-17(20)6-21(7-17)14-11(18)4-9-13(12(14)19)22(8-2-3-8)5-10(15(9)23)16(24)25/h4-5,8H,2-3,6-7,20H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C17H17F2N3O3
Molecular Weight 349.332
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 Fri Dec 15 17:46:39 GMT 2023
Edited
by admin
on Fri Dec 15 17:46:39 GMT 2023
Record UNII
9V748P0A7T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-4441
Common Name English
3-QUINOLINECARBOXYLIC ACID, 7-(3-AMINO-3-METHYL-1-AZETIDINYL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-
Common Name English
Code System Code Type Description
CAS
124668-12-8
Created by admin on Fri Dec 15 17:46:39 GMT 2023 , Edited by admin on Fri Dec 15 17:46:39 GMT 2023
PRIMARY
PUBCHEM
130229
Created by admin on Fri Dec 15 17:46:39 GMT 2023 , Edited by admin on Fri Dec 15 17:46:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID40154450
Created by admin on Fri Dec 15 17:46:39 GMT 2023 , Edited by admin on Fri Dec 15 17:46:39 GMT 2023
PRIMARY
FDA UNII
9V748P0A7T
Created by admin on Fri Dec 15 17:46:39 GMT 2023 , Edited by admin on Fri Dec 15 17:46:39 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY