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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24FN3O3
Molecular Weight 397.4427
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-FUBINACA

SMILES

COC(=O)[C@@H](NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3)C(C)(C)C

InChI

InChIKey=RFCDVEHNYDVCMU-LJQANCHMSA-N
InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24FN3O3
Molecular Weight 397.4427
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 Tue Apr 01 17:08:09 GMT 2025
Edited
by admin
on Tue Apr 01 17:08:09 GMT 2025
Record UNII
544DR70TN4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUB-MDMB
Preferred Name English
MDMB-FUBINACA
Common Name English
MDMB(N)-BZ-F
Common Name English
L-VALINE, N-((1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)CARBONYL)-3-METHYL-, METHYL ESTER
Systematic Name English
METHYL 2-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE, (S)-
Systematic Name English
METHYL (S)-2-(1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE
Systematic Name English
MDMB-BZ-F
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-MDMB-FUBINACA
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
DEA NO. 7020
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
Code System Code Type Description
WIKIPEDIA
MDMB-FUBINACA
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY MDMB-FUBINACA (also known as MDMB(N)-Bz-F and FUB-MDMB) is an indazole-based synthetic cannabinoid that is presumed to be a potent agonist of the CB1 receptor and has been sold online as a designer drug. Although there is no pharmacological information about MDMB-FUBINACA itself, its benzyl analogue (instead of 4-fluorobenzyl) has been reported to be a potent agonist for the CB1 receptor (Ki = 0.14 nM, EC50 = 2.42nM). As of October 2015 MDMB-FUBINACA is a controlled substance in Belarus, Russia, and China.
CAS
1715016-77-5
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
MANUFACTURER PRODUCT INFORMATION
MDMB-FUBINACA
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY MDMB-FUBINACA is a derivative of AB-FUBINACA in which the terminal aminocarbonyl moiety is replaced by a methyl ester group and the isobutyl moiety is substituted with a tert-butyl group. The physiological and toxicological properties of this compound have not been determined. This product is intended for research and forensic applications.
CAS
1971007-93-8
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID301355877
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY
FDA UNII
544DR70TN4
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY
PUBCHEM
119025665
Created by admin on Tue Apr 01 17:08:09 GMT 2025 , Edited by admin on Tue Apr 01 17:08:09 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Ki
TARGET -> AGONIST
EC50
TARGET -> AGONIST
EC50
TARGET -> AGONIST
Ki
Related Record Type Details
ACTIVE MOIETY