U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C21H22FN3O3
Molecular Weight 383.4161
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMB-FUBINACA, (±)-

SMILES

COC(=O)C(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)C(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C21H22FN3O3
Molecular Weight 383.4161
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:25 UTC 2023
Edited
by admin
on Sat Dec 16 10:18:25 UTC 2023
Record UNII
2N1280157D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMB-FUBINACA, (±)-
Common Name English
FUB-AMB, (±)-
Common Name English
MMB-FUBINACA, (±)-
Common Name English
METHYL (1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)-DL-VALINATE
Systematic Name English
METHYL 2-((1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOLE-3-CARBONYL)AMINO)-3-METHYLBUTANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
2N1280157D
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
PUBCHEM
119058044
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
SMS_ID
100000174834
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
CAS
1715016-76-4
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY