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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 4-(2-(11-(2-(((2R,3R,4S,5S,6S)-6-CARBOXY-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)-5-METHYL-6-OXO-6,11-DIHYDRO-5H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-8-YL)ETHOXY)QUINOLINE 1-OXIDE

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=[N+]([O-])C6=CC=CC=C56)C=N4)C1=O

InChI

InChIKey=PGQLKPHOIFYUJV-UDMYXELHSA-N
InChI=1S/C31H31N5O10/c1-34-21-7-4-10-32-28(21)35(12-14-45-31-25(39)23(37)24(38)26(46-31)30(41)42)27-19(29(34)40)15-17(16-33-27)9-13-44-22-8-11-36(43)20-6-3-2-5-18(20)22/h2-8,10-11,15-16,23-26,31,37-39H,9,12-14H2,1H3,(H,41,42)/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 16:52:11 GMT 2023
Edited
by admin
on Sat Dec 16 16:52:11 GMT 2023
Record UNII
T7VD4C7353
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-(11-(2-(((2R,3R,4S,5S,6S)-6-CARBOXY-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)-5-METHYL-6-OXO-6,11-DIHYDRO-5H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-8-YL)ETHOXY)QUINOLINE 1-OXIDE
Systematic Name English
BILR-355 METABOLITE M12
Common Name English
Code System Code Type Description
FDA UNII
T7VD4C7353
Created by admin on Sat Dec 16 16:52:11 GMT 2023 , Edited by admin on Sat Dec 16 16:52:11 GMT 2023
PRIMARY
PUBCHEM
154584849
Created by admin on Sat Dec 16 16:52:11 GMT 2023 , Edited by admin on Sat Dec 16 16:52:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO