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Details

Stereochemistry ACHIRAL
Molecular Formula C34H34N2O2
Molecular Weight 502.646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,10-Anthracenedione, 1,5-bis[(4-butylphenyl)amino]-

SMILES

CCCCC1=CC=C(NC2=CC=CC3=C2C(=O)C4=CC=CC(NC5=CC=C(CCCC)C=C5)=C4C3=O)C=C1

InChI

InChIKey=GRXYPNCZCDBAOC-UHFFFAOYSA-N
InChI=1S/C34H34N2O2/c1-3-5-9-23-15-19-25(20-16-23)35-29-13-7-11-27-31(29)33(37)28-12-8-14-30(32(28)34(27)38)36-26-21-17-24(18-22-26)10-6-4-2/h7-8,11-22,35-36H,3-6,9-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C34H34N2O2
Molecular Weight 502.646
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 20:17:58 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:58 GMT 2023
Record UNII
LTM4ELC4TC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,10-Anthracenedione, 1,5-bis[(4-butylphenyl)amino]-
Systematic Name English
1,5-Bis[(4-butylphenyl)amino]-9,10-anthracenedione
Systematic Name English
Code System Code Type Description
CAS
42887-24-1
Created by admin on Sat Dec 16 20:17:58 GMT 2023 , Edited by admin on Sat Dec 16 20:17:58 GMT 2023
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EPA CompTox
DTXSID2068428
Created by admin on Sat Dec 16 20:17:58 GMT 2023 , Edited by admin on Sat Dec 16 20:17:58 GMT 2023
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PUBCHEM
170699
Created by admin on Sat Dec 16 20:17:58 GMT 2023 , Edited by admin on Sat Dec 16 20:17:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-989-3
Created by admin on Sat Dec 16 20:17:58 GMT 2023 , Edited by admin on Sat Dec 16 20:17:58 GMT 2023
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FDA UNII
LTM4ELC4TC
Created by admin on Sat Dec 16 20:17:58 GMT 2023 , Edited by admin on Sat Dec 16 20:17:58 GMT 2023
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