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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31N5O10
Molecular Weight 633.6053
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(8-(2-((1,2-DIHYDRO-2-OXO-4-QUINOLINYL)OXY)ETHYL)-5,6-DIHYDRO-5-METHYL-6-OXO-11H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-11-YL)ETHYL

SMILES

CN1C2=CC=CN=C2N(CCO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=C(C=C(CCOC5=CC(=O)NC6=CC=CC=C56)C=N4)C1=O

InChI

InChIKey=NFJILBMQGKMUCW-UDMYXELHSA-N
InChI=1S/C31H31N5O10/c1-35-20-7-4-9-32-28(20)36(10-12-45-31-25(40)23(38)24(39)26(46-31)30(42)43)27-18(29(35)41)13-16(15-33-27)8-11-44-21-14-22(37)34-19-6-3-2-5-17(19)21/h2-7,9,13-15,23-26,31,38-40H,8,10-12H2,1H3,(H,34,37)(H,42,43)/t23-,24-,25+,26-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H31N5O10
Molecular Weight 633.6053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:37:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:37:56 GMT 2023
Record UNII
PG76HAS2AD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(8-(2-((1,2-DIHYDRO-2-OXO-4-QUINOLINYL)OXY)ETHYL)-5,6-DIHYDRO-5-METHYL-6-OXO-11H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-11-YL)ETHYL
Systematic Name English
BILR-355 METABOLITE M15
Common Name English
Code System Code Type Description
PUBCHEM
154584961
Created by admin on Sat Dec 16 16:37:56 GMT 2023 , Edited by admin on Sat Dec 16 16:37:56 GMT 2023
PRIMARY
CAS
1426843-25-5
Created by admin on Sat Dec 16 16:37:56 GMT 2023 , Edited by admin on Sat Dec 16 16:37:56 GMT 2023
PRIMARY
FDA UNII
PG76HAS2AD
Created by admin on Sat Dec 16 16:37:56 GMT 2023 , Edited by admin on Sat Dec 16 16:37:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO