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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17N3O4S
Molecular Weight 371.41
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[[2-(1-Methylethyl)phenyl]sulfonyl]-5-nitro-8-quinolinamine

SMILES

CC(C)C1=CC=CC=C1S(=O)(=O)C2=CC(N)=C3N=CC=CC3=C2[N+]([O-])=O

InChI

InChIKey=YUVNGBZROXQYQH-UHFFFAOYSA-N
InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H17N3O4S
Molecular Weight 371.41
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: CHEMBL4777
Sources: DOI: 10.1016/0960-894X(96)00319-8
48.0 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:19:09 GMT 2023
Edited
by admin
on Sat Dec 16 15:19:09 GMT 2023
Record UNII
GQ34MN6NT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-[[2-(1-Methylethyl)phenyl]sulfonyl]-5-nitro-8-quinolinamine
Systematic Name English
5-nitro-6-(2-propan-2-ylphenyl)sulfonyl-quinolin-8-amine
Systematic Name English
8-Quinolinamine, 6-[[2-(1-methylethyl)phenyl]sulfonyl]-5-nitro-
Systematic Name English
Code System Code Type Description
CAS
181468-88-2
Created by admin on Sat Dec 16 15:19:09 GMT 2023 , Edited by admin on Sat Dec 16 15:19:09 GMT 2023
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PUBCHEM
9820766
Created by admin on Sat Dec 16 15:19:09 GMT 2023 , Edited by admin on Sat Dec 16 15:19:09 GMT 2023
PRIMARY
FDA UNII
GQ34MN6NT8
Created by admin on Sat Dec 16 15:19:09 GMT 2023 , Edited by admin on Sat Dec 16 15:19:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID20431337
Created by admin on Sat Dec 16 15:19:09 GMT 2023 , Edited by admin on Sat Dec 16 15:19:09 GMT 2023
PRIMARY