EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PI2H4ADR4C
EPA CompTox	DTXSID20891477

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PI2H4ADR4C

EPA CompTox

DTXSID20891477


InChI Key	ZBILSSSEXRZGKS-UHFFFAOYSA-N
Smiles	C3c1ccccc1C2CNCCN2c4ccccc34
InChI	InChI=1S/C17H18N2/c1-3-7-15-13(5-1)11-14-6-2-4-8-16(14)19-10-9-18-12-17(15)19/h1-8,17-18H,9-12H2

InChI Key

ZBILSSSEXRZGKS-UHFFFAOYSA-N

Smiles

C3c1ccccc1C2CNCCN2c4ccccc34

InChI

InChI=1S/C17H18N2/c1-3-7-15-13(5-1)11-14-6-2-4-8-16(14)19-10-9-18-12-17(15)19/h1-8,17-18H,9-12H2

Property Name	Value
Molecular Formula	C17H18N2
Molecular Weight	250.15
AlogP	2.74
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	15.27
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H18N2

Molecular Weight

250.15

AlogP

2.74

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

15.27

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	71936-92-0
NORMAN SUSDAT
FDA SRS	PI2H4ADR4C
PubChem	115194
ChemSpider	103070.0

Resources

Reference

CAS NUMBER

71936-92-0

NORMAN SUSDAT

FDA SRS

PI2H4ADR4C

PubChem

115194

ChemSpider

103070.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

NORMIANSERIN

Structure

Physicochemical Descriptors

Cross References