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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H22N4O10
Molecular Weight 562.4844
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NB-506

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

InChI

InChIKey=WHTCLLAVOBBKHK-ISCYQWKGSA-N
InChI=1S/C27H22N4O10/c32-7-13-22(36)23(37)24(38)27(41-13)30-20-10(4-2-6-12(20)35)15-17-16(25(39)31(26(17)40)28-8-33)14-9-3-1-5-11(34)18(9)29-19(14)21(15)30/h1-6,8,13,22-24,27,29,32,34-38H,7H2,(H,28,33)/t13-,22-,23+,24-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H22N4O10
Molecular Weight 562.4844
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 16:17:36 GMT 2023
Edited
by admin
on Sat Dec 16 16:17:36 GMT 2023
Record UNII
Q7SF8H5TF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NB-506
Code English
N-(12-.BETA.-D-GLUCOPYRANOSYL-5,7,12,13-TETRAHYDRO-1,11-DIHYDROXY-5,7-DIOXO-6H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOL-6-YL)FORMAMIDE
Systematic Name English
NB 506
Code English
FORMAMIDE, N-(12-.BETA.-D-GLUCOPYRANOSYL-5,7,12,13-TETRAHYDRO-1,11-DIHYDROXY-5,7-DIOXO-6H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOL-6-YL)-
Common Name English
6-N-FORMYLAMINO-12,13-DIHYDRO-1,11-DIHYDROXY-13-(.BETA.-D-GLUCOPYRANOSYL) 5H-INDOLO (2,3-A)PYRROLO (3,4-C)CARBAZOLE-5,7(6H)-DIONE
Common Name English
Code System Code Type Description
FDA UNII
Q7SF8H5TF6
Created by admin on Sat Dec 16 16:17:36 GMT 2023 , Edited by admin on Sat Dec 16 16:17:36 GMT 2023
PRIMARY
PUBCHEM
9915861
Created by admin on Sat Dec 16 16:17:36 GMT 2023 , Edited by admin on Sat Dec 16 16:17:36 GMT 2023
PRIMARY
CAS
151069-12-4
Created by admin on Sat Dec 16 16:17:36 GMT 2023 , Edited by admin on Sat Dec 16 16:17:36 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
METABOLITE -> PARENT
IN VITRO
METABOLITE -> PARENT
IN VITRO