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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11NO8S
Molecular Weight 353.3057
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIA 3-465

SMILES

c1ccc(cc1)CC(=O)c2cc(c(c(c2)OS(=O)(=O)O)O)N(=O)=O

InChI

InChIKey=LEQKHSCEAPLYJI-UHFFFAOYSA-N
InChI=1S/C14H11NO8S/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(18)19)14(17)13(8-10)23-24(20,21)22/h1-5,7-8,17H,6H2,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C14H11NO8S
Molecular Weight 353.3057
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 Jun 26 09:04:14 UTC 2021
Edited
by admin
on Sat Jun 26 09:04:14 UTC 2021
Record UNII
OK2K3DL094
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIA 3-465
Code English
ETHANONE, 1-(4-HYDROXY-3-NITRO-5-(SULFOOXY)PHENYL)-2-PHENYL-
Systematic Name English
1-(4-HYDROXY-3-NITRO-5-(SULFOOXY)PHENYL)-2-PHENYLETHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
71362935
Created by admin on Sat Jun 26 09:04:14 UTC 2021 , Edited by admin on Sat Jun 26 09:04:14 UTC 2021
PRIMARY
FDA UNII
OK2K3DL094
Created by admin on Sat Jun 26 09:04:14 UTC 2021 , Edited by admin on Sat Jun 26 09:04:14 UTC 2021
PRIMARY
CAS
473790-09-9
Created by admin on Sat Jun 26 09:04:14 UTC 2021 , Edited by admin on Sat Jun 26 09:04:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA