EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5Y67H9W4KQ
EPA CompTox	DTXSID001024475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5Y67H9W4KQ

EPA CompTox

DTXSID001024475


InChI Key	YCRFSKUCDBJWLX-HUUCEWRRSA-N
Smiles	CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)C2=CC(=C(C=C2)Cl)Cl
InChI	InChI=1S/C16H22Cl2N2O/c1-4-16(21)20(11-8-9-12(17)13(18)10-11)15-7-5-6-14(15)19(2)3/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1

InChI Key

YCRFSKUCDBJWLX-HUUCEWRRSA-N

Smiles

CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O/c1-4-16(21)20(11-8-9-12(17)13(18)10-11)15-7-5-6-14(15)19(2)3/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1

Property Name	Value
Molecular Formula	C16H22Cl2N2O
Molecular Weight	328.11
AlogP	4.22
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	23.55
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H22Cl2N2O

Molecular Weight

328.11

AlogP

4.22

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

23.55

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	67450-44-6
NORMAN SUSDAT
FDA SRS	5Y67H9W4KQ

Resources

Reference

CAS NUMBER

67450-44-6

NORMAN SUSDAT

FDA SRS

5Y67H9W4KQ

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

ECLANAMINE

Structure

Physicochemical Descriptors

Cross References