EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T875VN0D6E
EPA CompTox	DTXSID00891490

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T875VN0D6E

EPA CompTox

DTXSID00891490


InChI Key	UZKBSZSTDQSMDR-UHFFFAOYSA-N
Smiles	C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI	InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2

InChI Key

UZKBSZSTDQSMDR-UHFFFAOYSA-N

Smiles

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2

Property Name	Value
Molecular Formula	C17H19Cl1N2
Molecular Weight	286.12
AlogP	3.33
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	15.27
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H19Cl1N2

Molecular Weight

286.12

AlogP

3.33

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

15.27

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	303-26-4
NORMAN SUSDAT
FDA SRS	T875VN0D6E
PubChem	9340
ChemSpider	8976.0

Resources

Reference

CAS NUMBER

303-26-4

NORMAN SUSDAT

FDA SRS

T875VN0D6E

PubChem

9340

ChemSpider

8976.0

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

NORCHLORCYCLIZINE

Structure

Physicochemical Descriptors

Cross References