EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q88EHD0U8G
EPA CompTox	DTXSID40175680

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q88EHD0U8G

EPA CompTox

DTXSID40175680


InChI Key	ZCMDXDQUYIWEKB-UHFFFAOYSA-N
Smiles	C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3
InChI	InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2

InChI Key

ZCMDXDQUYIWEKB-UHFFFAOYSA-N

Smiles

C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2

Property Name	Value
Molecular Formula	C19H24N2
Molecular Weight	280.19
AlogP	3.81
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	15.27
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H24N2

Molecular Weight

280.19

AlogP

3.81

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

15.27

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	21409-26-7
NORMAN SUSDAT
FDA SRS	Q88EHD0U8G
PubChem	88890
ChemSpider	80209.0

Resources

Reference

CAS NUMBER

21409-26-7

NORMAN SUSDAT

FDA SRS

Q88EHD0U8G

PubChem

88890

ChemSpider

80209.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

DESPROPIONYLFENTANYL

Structure

Physicochemical Descriptors

Cross References