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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15Br2N2O3.Cl
Molecular Weight 538.616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [TH-9402]

SMILES

[Cl-].COC(=O)C1=C(C=CC=C1)C2=C3C=CC(N)=C(Br)C3=[O+]C4=C(Br)C(N)=CC=C24

InChI

InChIKey=MIUOAXBWDVFADJ-UHFFFAOYSA-M
InChI=1S/C21H15Br2N2O3.ClH/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(24)17(22)19(12)28-20-13(16)7-9-15(25)18(20)23;/h2-9H,24-25H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H14Br2N2O3
Molecular Weight 502.155
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:04:44 GMT 2025
Edited
by admin
on Wed Apr 02 05:04:44 GMT 2025
Record UNII
RVY229824B
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition