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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20FN3O4
Molecular Weight 397.3996
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-2-((1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)IMINO)-4-HYDROXY-3,3-DIMETHYLBUTANOIC ACID

SMILES

CC(C)(CO)C(=N/C(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)\C(O)=O

InChI

InChIKey=KBNAZIFGDACIOA-NKFKGCMQSA-N
InChI=1S/C21H20FN3O4/c1-21(2,12-26)18(20(28)29)23-19(27)17-15-5-3-4-6-16(15)25(24-17)11-13-7-9-14(22)10-8-13/h3-10,26H,11-12H2,1-2H3,(H,28,29)/b23-18-

HIDE SMILES / InChI

Molecular Formula C21H20FN3O4
Molecular Weight 397.3996
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:58:13 GMT 2023
Edited
by admin
on Sat Dec 16 18:58:13 GMT 2023
Record UNII
BBS55YZK27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-2-((1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)IMINO)-4-HYDROXY-3,3-DIMETHYLBUTANOIC ACID
Systematic Name English
ADB-FUBINACA METABOLITE M21
Common Name English
Code System Code Type Description
FDA UNII
BBS55YZK27
Created by admin on Sat Dec 16 18:58:13 GMT 2023 , Edited by admin on Sat Dec 16 18:58:13 GMT 2023
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