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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26FN3O3
Molecular Weight 363.4264
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments assumed S-isomer

SHOW SMILES / InChI
Structure of 4F-MDMB-BINACA

SMILES

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

InChI

InChIKey=GZGKSDAMWRWYOZ-MRXNPFEDSA-N
InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26-4)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-7-11-20/h5-6,9-10,16H,7-8,11-12H2,1-4H3,(H,21,24)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26FN3O3
Molecular Weight 363.4264
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ZH38UTM145
Record Status Validated (UNII)
Record Version