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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24FN3O4
Molecular Weight 365.3993
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4F-MDMB BINACA B-8 METABOLITE

SMILES

CC(C)(CO)[C@H](NC(=O)C1=NN(CCCCF)C2=C1C=CC=C2)C(O)=O

InChI

InChIKey=HAWKVYRHVGKLEC-OAHLLOKOSA-N
InChI=1S/C18H24FN3O4/c1-18(2,11-23)15(17(25)26)20-16(24)14-12-7-3-4-8-13(12)22(21-14)10-6-5-9-19/h3-4,7-8,15,23H,5-6,9-11H2,1-2H3,(H,20,24)(H,25,26)/t15-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4F-MDMB BINACA B-8 METABOLITE
Common Name English
(S)-2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-4-hydroxy-3,3-dimethylbutanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
655EUD8MUP
Created by admin on Sat Dec 16 19:10:34 GMT 2023 , Edited by admin on Sat Dec 16 19:10:34 GMT 2023
PRIMARY
PUBCHEM
166451397
Created by admin on Sat Dec 16 19:10:34 GMT 2023 , Edited by admin on Sat Dec 16 19:10:34 GMT 2023
PRIMARY