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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N4O8
Molecular Weight 552.5757
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-16020-O-GLUCURONIDE

SMILES

CN(C)CCNC(=O)C1=NC=CC2=C(C)C3=C(C=C12)C4=C(C=CC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=C4)N3C

InChI

InChIKey=ZHNIHKNMNOCMBU-CPIYQPHESA-N
InChI=1S/C28H32N4O8/c1-13-15-7-8-29-20(26(36)30-9-10-31(2)3)17(15)12-18-16-11-14(5-6-19(16)32(4)21(13)18)39-28-24(35)22(33)23(34)25(40-28)27(37)38/h5-8,11-12,22-25,28,33-35H,9-10H2,1-4H3,(H,30,36)(H,37,38)/t22-,23-,24+,25-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
S-16020-O-GLUCURONIDE
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-(((2-(DIMETHYLAMINO)ETHYL)AMINO)CARBONYL)-5,6-DIMETHYL-6H-PYRIDO(4,3-B)CARBAZOL-9-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
154731628
Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023
PRIMARY
FDA UNII
VW3Z1K1Q05
Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023
PRIMARY
CAS
797798-16-4
Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023
PRIMARY