U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C29H38FN3O5
Molecular Weight 527.6275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATOPAXAR

SMILES

CCOC1=CC2=C(C(=N)N(CC(=O)C3=CC(N4CCOCC4)=C(OC)C(=C3)C(C)(C)C)C2)C(F)=C1OCC

InChI

InChIKey=QWKAUGRRIXBIPO-UHFFFAOYSA-N
InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C29H38FN3O5
Molecular Weight 527.6275
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 18:45:09 UTC 2023
Edited
by admin
on Fri Dec 15 18:45:09 UTC 2023
Record UNII
HTI275SD2D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATOPAXAR
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
E-5555
Code English
ATOPAXAR [USAN]
Common Name English
2-(5,6-DIETHOXY-7-FLUORO-1-IMINO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-1-(3-(1,1-DIMETHYLETHYL)- 4-METHOXY-5-(MORPHOLIN-4-YL)PHENYL)ETHANONE
Systematic Name English
atopaxar [INN]
Common Name English
Atopaxar [WHO-DD]
Common Name English
ER-172594-00
Code English
ETHANONE, 2-(5,6-DIETHOXY-7-FLUORO-1,3-DIHYDRO-1-IMINO-2H-ISOINDOL-2-YL)-1-(3-(1,1- DIMETHYLETHYL)-4-METHOXY-5-(4-MORPHOLINYL)PHENYL)-
Systematic Name English
2-(5,6-DIETHOXY-7-FLUORO-1-IMINO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-1-(3-TERT-BUTYL-4-METHOXY-5-(MORPHOLIN-4-YL)PHENYL)ETHAN-1-ONE
Systematic Name English
E5555
Code English
Code System Code Type Description
SMS_ID
100000175108
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
DRUG BANK
DB12046
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
USAN
XX-03
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
CAS
751475-53-3
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
FDA UNII
HTI275SD2D
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
INN
9375
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103856
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
NCI_THESAURUS
C169794
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
PUBCHEM
10459564
Created by admin on Fri Dec 15 18:45:09 UTC 2023 , Edited by admin on Fri Dec 15 18:45:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY