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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H30N4O16
Molecular Weight 738.6085
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NB-506 GLUCURONIDE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C3=C(C4=C2C(O)=CC=C4)C5=C(C(=O)N(NC=O)C5=O)C6=C3NC7=C6C=CC=C7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O

InChI

InChIKey=FSEPVVMERYDPRB-ZLNMQOEFSA-N
InChI=1S/C33H30N4O16/c38-7-13-22(41)23(42)26(45)31(51-13)36-20-10(4-1-5-11(20)40)15-17-16(29(47)37(30(17)48)34-8-39)14-9-3-2-6-12(18(9)35-19(14)21(15)36)52-33-27(46)24(43)25(44)28(53-33)32(49)50/h1-6,8,13,22-28,31,33,35,38,40-46H,7H2,(H,34,39)(H,49,50)/t13-,22-,23+,24+,25+,26-,27-,28+,31-,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NB-506 GLUCURONIDE
Code English
6-(FORMYLAMINO)-12-.BETA.-D-GLUCOPYRANOSYL-6,7,12,13-TETRAHYDRO-11-HYDROXY-5,7-DIOXO-5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOL-1-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 6-(FORMYLAMINO)-12-.BETA.-D-GLUCOPYRANOSYL-6,7,12,13-TETRAHYDRO-11-HYDROXY-5,7-DIOXO-5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOL-1-YL
Systematic Name English
ED-594
Code English
ED 594
Code English
NB 506 GLUCURONIDE
Code English
Code System Code Type Description
CAS
217187-87-6
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY
PUBCHEM
10462699
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY
FDA UNII
81Z36ZFM5M
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY