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Details

Stereochemistry ACHIRAL
Molecular Formula C28H14Cl2N4O3
Molecular Weight 525.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,13-Dichloro-2-ethoxybisbenzimidazo[2,1-b:1′,2′-j]benzo[lmn][3,8]phenanthroline-6,9-dione

SMILES

CCOC1=CC2=C(C=C1Cl)N3C(=N2)C4=CC=C5C6=NC7=C(C=CC(Cl)=C7)N6C(=O)C8=CC=C(C3=O)C4=C58

InChI

InChIKey=ZURDLFKEZAKWSC-UHFFFAOYSA-N
InChI=1S/C28H14Cl2N4O3/c1-2-37-22-11-19-21(10-17(22)30)34-26(32-19)14-5-4-13-23-15(6-7-16(24(14)23)28(34)36)27(35)33-20-8-3-12(29)9-18(20)31-25(13)33/h3-11H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C28H14Cl2N4O3
Molecular Weight 525.342
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 12:03:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:47 GMT 2023
Record UNII
4RU86E39XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,13-Dichloro-2-ethoxybisbenzimidazo[2,1-b:1′,2′-j]benzo[lmn][3,8]phenanthroline-6,9-dione
Systematic Name English
Bisbenzimidazo[2,1-b:1′,2′-j]benzo[lmn][3,8]phenanthroline-6,9-dione, 3,13-dichloro-2-ethoxy-
Systematic Name English
Code System Code Type Description
FDA UNII
4RU86E39XQ
Created by admin on Sat Dec 16 12:03:47 GMT 2023 , Edited by admin on Sat Dec 16 12:03:47 GMT 2023
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ECHA (EC/EINECS)
306-782-2
Created by admin on Sat Dec 16 12:03:47 GMT 2023 , Edited by admin on Sat Dec 16 12:03:47 GMT 2023
PRIMARY
PUBCHEM
71300795
Created by admin on Sat Dec 16 12:03:47 GMT 2023 , Edited by admin on Sat Dec 16 12:03:47 GMT 2023
PRIMARY
CAS
97404-19-8
Created by admin on Sat Dec 16 12:03:47 GMT 2023 , Edited by admin on Sat Dec 16 12:03:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID90242952
Created by admin on Sat Dec 16 12:03:47 GMT 2023 , Edited by admin on Sat Dec 16 12:03:47 GMT 2023
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