methyl (1-(4-fluorobenzyl)-1H-indazole-3-carbonyl)-DL-valinate (Q20707530)

MMB-FUBINACA (English)

14 October 2016

chemical formula

C₂₁H₂₂FN₃O₃

1 reference

MMB-FUBINACA (English)

14 October 2016

canonical SMILES

CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F

1 reference

MMB-FUBINACA (English)

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)

14 October 2016

Identifiers

InChI

1 reference

MMB-FUBINACA (English)

FRFFLYJQPCIIQB-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

MMB-FUBINACA (English)

14 October 2016

2 references

UNII

2N1280157D

methyl (1-(4-fluorobenzyl)-1H-indazole-3-carbonyl)-DL-valinate (English)

FRFFLYJQPCIIQB-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1715016-76-4

1 reference

Methyl N-{[1-(4-fluorobenzyl)-1H-indazol-3-yl]carbonyl}valinate (English)

14 October 2016

1 reference

DSSTOX compound identifier

MMB-FUBINACA (English)

14 October 2016

1 reference

0 references

DTXCID301436396

0 references

Human Metabolome Database ID

HMDB0254816

1 reference

based on heuristic

inferred from InChIKey

UNII

2N1280157D

1 reference

stated in

Global Substance Registration System

UNII

2N1280157D

methyl (1-(4-fluorobenzyl)-1H-indazole-3-carbonyl)-DL-valinate (English)