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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31FN2O3
Molecular Weight 390.4915
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5F-EDMB-PICA

SMILES

CCOC(=O)[C@@H](NC(=O)C1=CN(CCCCCF)C2=C1C=CC=C2)C(C)(C)C

InChI

InChIKey=RNWBJOCYFGGMRJ-LJQANCHMSA-N
InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H31FN2O3
Molecular Weight 390.4915
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 Wed Apr 02 12:24:45 GMT 2025
Edited
by admin
on Wed Apr 02 12:24:45 GMT 2025
Record UNII
RR74W6XUK6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5F-EDMB-PICA
Common Name English
Ethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethyl-butanoate, (S)-
Preferred Name English
5-Fluoro-EDMB-PICA
Common Name English
5F-EDMB-2201
Common Name English
DEA NO. 7094
Code English
ETHYL 2-(1-(5-FLUOROPENTYL)-1H-INDOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE
Systematic Name English
N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine ethyl ester
Common Name English
L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-, ethyl ester
Common Name English
Classification Tree Code System Code
DEA NO. 7094
Created by admin on Wed Apr 02 12:24:45 GMT 2025 , Edited by admin on Wed Apr 02 12:24:45 GMT 2025
Code System Code Type Description
FDA UNII
RR74W6XUK6
Created by admin on Wed Apr 02 12:24:45 GMT 2025 , Edited by admin on Wed Apr 02 12:24:45 GMT 2025
PRIMARY
CAS
2666934-54-7
Created by admin on Wed Apr 02 12:24:45 GMT 2025 , Edited by admin on Wed Apr 02 12:24:45 GMT 2025
PRIMARY
PUBCHEM
165361474
Created by admin on Wed Apr 02 12:24:45 GMT 2025 , Edited by admin on Wed Apr 02 12:24:45 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
ENANTIOMER -> ENANTIOMER
Related Record Type Details
ACTIVE MOIETY