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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H20Cl4FN2O2.Cl
Molecular Weight 588.713
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUDAZONIUM CHLORIDE, (R)-

SMILES

[Cl-].FC1=CC=C(C=C1)C(=O)C[N+]2=CN(C[C@H](OCC3=CC=C(Cl)C=C3Cl)C4=CC=C(Cl)C=C4Cl)C=C2

InChI

InChIKey=JWPMAPBNVNRWBX-SNYZSRNZSA-M
InChI=1S/C26H20Cl4FN2O2.ClH/c27-19-4-1-18(23(29)11-19)15-35-26(22-8-5-20(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-2-6-21(31)7-3-17;/h1-12,16,26H,13-15H2;1H/q+1;/p-1/t26-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H20Cl4FN2O2
Molecular Weight 553.26
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:06:48 UTC 2023
Edited
by admin
on Sat Dec 16 11:06:48 UTC 2023
Record UNII
I077GX5M77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUDAZONIUM CHLORIDE, (R)-
Common Name English
1H-IMIDAZOLIUM, 1-(2-(2,4-DICHLOROPHENYL)-2-((2,4-DICHLOROPHENYL)METHOXY)ETHYL)-3-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-, CHLORIDE (1:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76971585
Created by admin on Sat Dec 16 11:06:48 UTC 2023 , Edited by admin on Sat Dec 16 11:06:48 UTC 2023
PRIMARY
FDA UNII
I077GX5M77
Created by admin on Sat Dec 16 11:06:48 UTC 2023 , Edited by admin on Sat Dec 16 11:06:48 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER