EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	240J927J1R
EPA CompTox	DTXSID40868020

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

240J927J1R

EPA CompTox

DTXSID40868020


InChI Key	MNHDDERDSNZCCK-INIZCTEOSA-N
Smiles	CN1CCN2c3ccccc3Cn3cccc3[C@@H]2C1
InChI	InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3/t16-/m0/s1

InChI Key

MNHDDERDSNZCCK-INIZCTEOSA-N

Smiles

CN1CCN2c3ccccc3Cn3cccc3[C@@H]2C1

InChI

InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3/t16-/m0/s1

Property Name	Value
Molecular Formula	C16H19N3
Molecular Weight	253.16
AlogP	2.34
Hydrogen Bond Acceptor	3.0
Polar Surface Area	11.41
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H19N3

Molecular Weight

253.16

AlogP

2.34

Hydrogen Bond Acceptor

3.0

Polar Surface Area

11.41

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	71576-40-4
NORMAN SUSDAT
FDA SRS	240J927J1R

Resources

Reference

CAS NUMBER

71576-40-4

NORMAN SUSDAT

FDA SRS

240J927J1R

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

APTAZAPINE

Structure

Physicochemical Descriptors

Cross References