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Details

Stereochemistry ACHIRAL
Molecular Formula C25H23N5O4
Molecular Weight 457.4812
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, 5,11-DIHYDRO-11-(2-HYDROXYETHYL)-5-METHYL-8-(2-((1-OXIDO-4-QUINOLINYL)OXY)ETHYL)-

SMILES

CN1C2=CC=CN=C2N(CCO)C3=C(C=C(CCOC4=CC=[N+]([O-])C5=CC=CC=C45)C=N3)C1=O

InChI

InChIKey=SYYKJHYQIZIKRD-UHFFFAOYSA-N
InChI=1S/C25H23N5O4/c1-28-21-7-4-10-26-24(21)29(12-13-31)23-19(25(28)32)15-17(16-27-23)9-14-34-22-8-11-30(33)20-6-3-2-5-18(20)22/h2-8,10-11,15-16,31H,9,12-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C25H23N5O4
Molecular Weight 457.4812
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 16:32:25 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:25 GMT 2023
Record UNII
1XNQ7Z4FOO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, 5,11-DIHYDRO-11-(2-HYDROXYETHYL)-5-METHYL-8-(2-((1-OXIDO-4-QUINOLINYL)OXY)ETHYL)-
Systematic Name English
BILR-355 METABOLITE M7
Common Name English
Code System Code Type Description
FDA UNII
1XNQ7Z4FOO
Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023
PRIMARY
CAS
1426814-05-2
Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023
PRIMARY
PUBCHEM
154584906
Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO