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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30FN3O3
Molecular Weight 391.4796
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed S-isomer as in L-valine

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

SMILES

CCOC(=O)[C@@H](NC(=O)C1=NN(CCCCCF)C2=CC=CC=C12)C(C)(C)C

InChI

InChIKey=VDEACSPMBSUVRD-GOSISDBHSA-N
InChI=1S/C21H30FN3O3/c1-5-28-20(27)18(21(2,3)4)23-19(26)17-15-11-7-8-12-16(15)25(24-17)14-10-6-9-13-22/h7-8,11-12,18H,5-6,9-10,13-14H2,1-4H3,(H,23,26)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30FN3O3
Molecular Weight 391.4796
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 Sat Dec 16 15:15:08 GMT 2023
Edited
by admin
on Sat Dec 16 15:15:08 GMT 2023
Record UNII
LBS820X9AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5F-EDMB-PINACA
Common Name English
5-fluoro-EDMB-PINACA
Common Name English
ETHYL 2-(1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE
Systematic Name English
DEA NO. 7036
Code English
5F-EDMB-PINACA [NFLIS-DRUG]
Common Name English
Classification Tree Code System Code
DEA NO. 7036
Created by admin on Sat Dec 16 15:15:08 GMT 2023 , Edited by admin on Sat Dec 16 15:15:08 GMT 2023
Code System Code Type Description
FDA UNII
LBS820X9AE
Created by admin on Sat Dec 16 15:15:08 GMT 2023 , Edited by admin on Sat Dec 16 15:15:08 GMT 2023
PRIMARY
PUBCHEM
137700114
Created by admin on Sat Dec 16 15:15:08 GMT 2023 , Edited by admin on Sat Dec 16 15:15:08 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY