EcoDrugPlus


Synonyms	D-fenfluramine Dexfenfluramine Fenfluramine d-form Isolipan J13.711A S 5614
Status
Molecule Category	Free-form
ATC	A08AA04
UNII	E35R3G56OV


InChI Key	DBGIVFWFUFKIQN-VIFPVBQESA-N
Smiles	CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1

Property Name	Value
Molecular Formula	C12H16F3N
Molecular Weight	231.26
AlogP	3.25
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	16.0

Resources	Reference
ChEBI	439329
ChEMBL	CHEMBL248702
DrugBank	DB01191
DrugCentral	832
FDA SRS	E35R3G56OV
Human Metabolome Database	HMDB0015322
PubChem	66265
SureChEMBL	SCHEMBL16706
ZINC	ZINC000000000294

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DEXFENFLURAMINE

Structure

Physicochemical Descriptors

Related Entries

Cross References