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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16I2O3
Molecular Weight 546.1382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-1086

SMILES

CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I

InChI

InChIKey=PNFMEGSMKIHDFZ-UHFFFAOYSA-N
InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H16I2O3
Molecular Weight 546.1382
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 05:41:21 UTC 2021
Edited
by admin
on Sat Jun 26 05:41:21 UTC 2021
Record UNII
D8YC83C05N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-1086
Common Name English
KETONE, 2-BUTYL-3-BENZOFURANYL 4-HYDROXY-3,5-DIIODOPHENYL
Systematic Name English
NSC-85437
Code English
(2-BUTYLBENZOFURAN-3-YL)(4-HYDROXY-3,5-DIIODOPHENYL)METHANONE
Systematic Name English
AMIODARONE METABOLITE M3
Common Name English
L 3373
Code English
AMIODARONE HYDROCHLORIDE IMPURITY D [EP]
Common Name English
AMIODARONE RELATED COMPOUND B
Common Name English
L-3373
Common Name English
O-DEALKYLATED METABOLITE OF AMIODARONE
Common Name English
METHANONE, (2-BUTYL-3-BENZOFURANYL)(4-HYDROXY-3,5-DIIODOPHENYL)-
Systematic Name English
S 1086
Code English
Code System Code Type Description
PUBCHEM
74769
Created by admin on Sat Jun 26 05:41:22 UTC 2021 , Edited by admin on Sat Jun 26 05:41:22 UTC 2021
PRIMARY
EPA CompTox
1951-26-4
Created by admin on Sat Jun 26 05:41:22 UTC 2021 , Edited by admin on Sat Jun 26 05:41:22 UTC 2021
PRIMARY
CAS
1951-26-4
Created by admin on Sat Jun 26 05:41:22 UTC 2021 , Edited by admin on Sat Jun 26 05:41:22 UTC 2021
PRIMARY
ECHA (EC/EINECS)
217-773-7
Created by admin on Sat Jun 26 05:41:22 UTC 2021 , Edited by admin on Sat Jun 26 05:41:22 UTC 2021
PRIMARY
FDA UNII
D8YC83C05N
Created by admin on Sat Jun 26 05:41:22 UTC 2021 , Edited by admin on Sat Jun 26 05:41:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
BILE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP