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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN4O2
Molecular Weight 368.4047
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AB-FUBINACA 2-FLUOROBENZYL ISOMER

SMILES

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

InChI

InChIKey=AJGUHANHCUPXSK-KRWDZBQOSA-N
InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-14-8-4-6-10-16(14)25(24-18)11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H21FN4O2
Molecular Weight 368.4047
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:49 UTC 2023
Edited
by admin
on Sat Dec 16 19:05:49 UTC 2023
Record UNII
D5UV8X4SEM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AB-FUBINACA 2-FLUOROBENZYL ISOMER
Common Name English
N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((2-FLUOROPHENYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((2-FLUOROPHENYL)METHYL)-
Systematic Name English
N-((2S)-1-AMINO-3-METHYL-1-OXO-2-BUTANYL)-1-(2-FLUOROBENZYL)-1H-I NDAZOLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101017069
Created by admin on Sat Dec 16 19:05:49 UTC 2023 , Edited by admin on Sat Dec 16 19:05:49 UTC 2023
PRIMARY
FDA UNII
D5UV8X4SEM
Created by admin on Sat Dec 16 19:05:49 UTC 2023 , Edited by admin on Sat Dec 16 19:05:49 UTC 2023
PRIMARY
PUBCHEM
121232597
Created by admin on Sat Dec 16 19:05:49 UTC 2023 , Edited by admin on Sat Dec 16 19:05:49 UTC 2023
PRIMARY
CAS
1185282-16-9
Created by admin on Sat Dec 16 19:05:49 UTC 2023 , Edited by admin on Sat Dec 16 19:05:49 UTC 2023
PRIMARY
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TARGET -> AGONIST
Ki
TARGET -> AGONIST
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ACTIVE MOIETY