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

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

Structure Search

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

Approval Year

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

PARENT (METABOLITE)


					V7T28EEE1C

BILR-355

SUBSTANCE RECORD


					T7VD4C7353

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