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Details

Stereochemistry ACHIRAL
Molecular Formula C45H26N2O20S5
Molecular Weight 1075.014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((9,10-Bis(sulfooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(hydrogen sulfate)

SMILES

OS(=O)(=O)OC1=C2C=CC=C(NC3=CC4=C(OS(O)(=O)=O)C5=C6C(C=CC7=C6C(C=C5)=C8C=CC9=C(C(OS(O)(=O)=O)=C%10C=CC=CC%10=C9OS(O)(=O)=O)C8=N7)=C4C=C3)C2=C(OS(O)(=O)=O)C%11=C1C=CC=C%11

InChI

InChIKey=USTKQIHGMDRTIL-UHFFFAOYSA-N
InChI=1S/C45H26N2O20S5/c48-68(49,50)63-41-26-6-1-3-8-28(26)44(66-71(57,58)59)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(33(22)20-21)65-70(54,55)56)25-15-17-32-39(40(25)47-35)45(67-72(60,61)62)29-9-4-2-7-27(29)42(32)64-69(51,52)53/h1-20,46H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)

HIDE SMILES / InChI

Approval Year

Name Type Language
Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triol, 3-[[9,10-bis(sulfooxy)-1-anthracenyl]amino]-, tris(hydrogen sulfate) (ester)
Preferred Name English
3-((9,10-Bis(sulfooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(hydrogen sulfate)
Systematic Name English
Code System Code Type Description
CAS
754932-59-7
Created by admin on Wed Apr 02 19:13:53 GMT 2025 , Edited by admin on Wed Apr 02 19:13:53 GMT 2025
PRIMARY
PUBCHEM
159602
Created by admin on Wed Apr 02 19:13:53 GMT 2025 , Edited by admin on Wed Apr 02 19:13:53 GMT 2025
PRIMARY
FDA UNII
M5N9UF8ZCF
Created by admin on Wed Apr 02 19:13:53 GMT 2025 , Edited by admin on Wed Apr 02 19:13:53 GMT 2025
PRIMARY