AB-FUBINACA 2-FLUOROBENZYL ISOMER

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

Structure Search

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

Primary Target	Pharmacology	Condition	Potency
Cannabinoid CB1 receptor 85 Target ID: CHEMBL218 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29367862	Agonist 2678
Cannabinoid CB2 receptor 71 Target ID: CHEMBL253 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29367862	Agonist 2678

PubMed

Title	Date	PubMed
Evaluation of carboxamide-type synthetic cannabinoids as CB(1)/CB(2) receptor agonists: difference between the enantiomers.	2018	29367862
Differentiation of AB-FUBINACA and its five positional isomers using liquid chromatography-electrospray ionization-linear ion trap mass spectrometry and triple quadrupole mass spectrometry.	2018	29963205

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

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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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