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Details

Stereochemistry ACHIRAL
Molecular Formula C26H39NO3S
Molecular Weight 445.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-HEPTADECYLMERCAPTO-6-HYDROXY-5,8-QUINOLINEQUINONE

SMILES

CCCCCCCCCCCCCCCCCSC1=C(O)C(=O)C2=CC=CN=C2C1=O

InChI

InChIKey=MROIMSFVCTWXHK-UHFFFAOYSA-N
InChI=1S/C26H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26-24(29)22-21(18-17-19-27-22)23(28)25(26)30/h17-19,30H,2-16,20H2,1H3

HIDE SMILES / InChI

Molecular Formula C26H39NO3S
Molecular Weight 445.658
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 12:58:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:32 GMT 2023
Record UNII
C19TNQ5RK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-HEPTADECYLMERCAPTO-6-HYDROXY-5,8-QUINOLINEQUINONE
Systematic Name English
5,8-QUINOLINEDIONE, 7-(HEPTADECYLTHIO)-6-HYDROXY-
Systematic Name English
7-(N-HEPTADECYLMERCAPTO)-6-HYDROXY-5,8-QUINOLINEQUINONE
Systematic Name English
NSC-267720
Code English
7-(HEPTADECYLTHIO)-6-HYDROXY-5,8-QUINOLINEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
C19TNQ5RK8
Created by admin on Sat Dec 16 12:58:32 GMT 2023 , Edited by admin on Sat Dec 16 12:58:32 GMT 2023
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CAS
53193-62-7
Created by admin on Sat Dec 16 12:58:32 GMT 2023 , Edited by admin on Sat Dec 16 12:58:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60967706
Created by admin on Sat Dec 16 12:58:32 GMT 2023 , Edited by admin on Sat Dec 16 12:58:32 GMT 2023
PRIMARY
NSC
267720
Created by admin on Sat Dec 16 12:58:32 GMT 2023 , Edited by admin on Sat Dec 16 12:58:32 GMT 2023
PRIMARY