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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22FN3O3
Molecular Weight 383.4161
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOIC ACID

SMILES

CC(C)(C)[C@H](NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)C(O)=O

InChI

InChIKey=IYHKZKWEKNIMPG-GOSISDBHSA-N
InChI=1S/C21H22FN3O3/c1-21(2,3)18(20(27)28)23-19(26)17-15-6-4-5-7-16(15)25(24-17)12-13-8-10-14(22)11-9-13/h4-11,18H,12H2,1-3H3,(H,23,26)(H,27,28)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22FN3O3
Molecular Weight 383.4161
Charge 0
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 18:45:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:45:52 GMT 2023
Record UNII
TP6LT2G9F8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOIC ACID
Systematic Name English
ADB-FUBINACA METABOLITE M22
Common Name English
Code System Code Type Description
PUBCHEM
129522097
Created by admin on Sat Dec 16 18:45:52 GMT 2023 , Edited by admin on Sat Dec 16 18:45:52 GMT 2023
PRIMARY
FDA UNII
TP6LT2G9F8
Created by admin on Sat Dec 16 18:45:52 GMT 2023 , Edited by admin on Sat Dec 16 18:45:52 GMT 2023
PRIMARY
Related Record Type Details
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