EcoDrugPlus


Synonyms	NSC-169187 Phendimetrazine
Status
Molecule Category	Free-form
UNII	AB2794W8KV


InChI Key	MFOCDFTXLCYLKU-CMPLNLGQSA-N
Smiles	C[C@H]1[C@H](c2ccccc2)OCCN1C
InChI	InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1

Property Name	Value
Molecular Formula	C12H17NO
Molecular Weight	191.27
AlogP	2.08
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	12.47
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Resources	Reference
ChEBI	8059
ChEMBL	CHEMBL1615439
DrugBank	DB01579
DrugCentral	2122
FDA SRS	AB2794W8KV
KEGG	C07904
PubChem	30487
SureChEMBL	SCHEMBL598950
ZINC	ZINC000022010387

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

PHENDIMETRAZINE

Structure

Physicochemical Descriptors

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