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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30N4O4
Molecular Weight 486.5622
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-BIS(4-(1-PIPERIDINYL)-2-BUTYNYL)BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE

SMILES

O=C1N(CC#CCN2CCCCC2)C(=O)C3=CC4=C(C=C13)C(=O)N(CC#CCN5CCCCC5)C4=O

InChI

InChIKey=OTOKHVNJWQHYIV-UHFFFAOYSA-N
InChI=1S/C28H30N4O4/c33-25-21-19-23-24(28(36)32(27(23)35)18-10-8-16-30-13-5-2-6-14-30)20-22(21)26(34)31(25)17-9-7-15-29-11-3-1-4-12-29/h19-20H,1-6,11-18H2

HIDE SMILES / InChI

Molecular Formula C28H30N4O4
Molecular Weight 486.5622
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 12:43:42 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:42 GMT 2023
Record UNII
8IU5EE8ZMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-BIS(4-(1-PIPERIDINYL)-2-BUTYNYL)BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE
Systematic Name English
NSC-353100
Code English
1,2,4,5-BENZENETETRACARBOXYLIC 1,2:4,5-DIIMIDE, N,N'-BIS(4-(PIPERIDINO)BUT-2-YNYL)-
Common Name English
BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE, 2,6-BIS(4-(1-PIPERIDINYL)-2-BUTYNYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
8IU5EE8ZMA
Created by admin on Sat Dec 16 12:43:42 GMT 2023 , Edited by admin on Sat Dec 16 12:43:42 GMT 2023
PRIMARY
CAS
77762-97-1
Created by admin on Sat Dec 16 12:43:42 GMT 2023 , Edited by admin on Sat Dec 16 12:43:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID50228378
Created by admin on Sat Dec 16 12:43:42 GMT 2023 , Edited by admin on Sat Dec 16 12:43:42 GMT 2023
PRIMARY
PUBCHEM
100718
Created by admin on Sat Dec 16 12:43:42 GMT 2023 , Edited by admin on Sat Dec 16 12:43:42 GMT 2023
PRIMARY
NSC
353100
Created by admin on Sat Dec 16 12:43:42 GMT 2023 , Edited by admin on Sat Dec 16 12:43:42 GMT 2023
PRIMARY