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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21FN4O4
Molecular Weight 412.4142
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=FZESHSPLDODKSC-QGZVFWFLSA-N
InChI=1S/C21H21FN4O4/c1-21(2,20(29)30)17(18(23)27)24-19(28)16-14-5-3-4-6-15(14)26(25-16)11-12-7-9-13(22)10-8-12/h3-10,17H,11H2,1-2H3,(H2,23,27)(H,24,28)(H,29,30)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H21FN4O4
Molecular Weight 412.4142
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 18:57:10 UTC 2023
Edited
by admin
on Sat Dec 16 18:57:10 UTC 2023
Record UNII
NH5C7VB7CH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-4-AMINO-3-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-2,2-DIMETHYL-4-OXOBUTANOIC ACID
Systematic Name English
ADB-FUBINACA METABOLITE M17
Common Name English
Code System Code Type Description
FDA UNII
NH5C7VB7CH
Created by admin on Sat Dec 16 18:57:10 UTC 2023 , Edited by admin on Sat Dec 16 18:57:10 UTC 2023
PRIMARY
PUBCHEM
155923013
Created by admin on Sat Dec 16 18:57:10 UTC 2023 , Edited by admin on Sat Dec 16 18:57:10 UTC 2023
PRIMARY
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