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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O4
Molecular Weight 296.2775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,5′,6,6′-Tetrahydroxy-3,3′-biindolyl

SMILES

OC1=CC2=C(C=C1O)C(=CN2)C3=CNC4=CC(O)=C(O)C=C34

InChI

InChIKey=UHYVKNUCMCSKMR-UHFFFAOYSA-N
InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H

HIDE SMILES / InChI

Molecular Formula C16H12N2O4
Molecular Weight 296.2775
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:41:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:41 GMT 2023
Record UNII
2N2SZV94RH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,5′,6,6′-Tetrahydroxy-3,3′-biindolyl
Systematic Name English
[3,3′-Bi-1H-indole]-5,5′,6,6′-tetrol
Systematic Name English
3-(5,6-Bis(oxidanyl)-1H-indol-3-yl)-1H-indole-5,6-diol
Systematic Name English
Code System Code Type Description
FDA UNII
2N2SZV94RH
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
PUBCHEM
21590181
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
CAS
390401-91-9
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10616171
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY