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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 3-FLUOROBENZYL ISOMER

SMILES

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

InChI

InChIKey=PDYYWSOYXNOKBK-KRWDZBQOSA-N
InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-8-3-4-9-16(15)25(24-18)11-13-6-5-7-14(21)10-13/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

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:11:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:11:10 GMT 2023
Record UNII
VX6CM75L92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AB-FUBINACA 3-FLUOROBENZYL ISOMER
Common Name English
N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((3-FLUOROPHENYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((3-FLUOROPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
VX6CM75L92
Created by admin on Sat Dec 16 19:11:11 GMT 2023 , Edited by admin on Sat Dec 16 19:11:11 GMT 2023
PRIMARY
PUBCHEM
121230674
Created by admin on Sat Dec 16 19:11:11 GMT 2023 , Edited by admin on Sat Dec 16 19:11:11 GMT 2023
PRIMARY
CAS
1185282-19-2
Created by admin on Sat Dec 16 19:11:11 GMT 2023 , Edited by admin on Sat Dec 16 19:11:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID101017714
Created by admin on Sat Dec 16 19:11:11 GMT 2023 , Edited by admin on Sat Dec 16 19:11:11 GMT 2023
PRIMARY
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