EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZPO6B92P5Y

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZPO6B92P5Y


InChI Key	WQRPBKUCJBWQRT-UHFFFAOYSA-N
Smiles	CC(C)NC(C)Cc1ccc(O)cn1
InChI	InChI=1S/C11H18N2O/c1-8(2)13-9(3)6-10-4-5-11(14)7-12-10/h4-5,7-9,13-14H,6H2,1-3H3

InChI Key

WQRPBKUCJBWQRT-UHFFFAOYSA-N

Smiles

CC(C)NC(C)Cc1ccc(O)cn1

InChI

InChI=1S/C11H18N2O/c1-8(2)13-9(3)6-10-4-5-11(14)7-12-10/h4-5,7-9,13-14H,6H2,1-3H3

Property Name	Value
Molecular Formula	C11H18N2O1
Molecular Weight	194.14
AlogP	1.72
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	45.15
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H18N2O1

Molecular Weight

194.14

AlogP

1.72

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

45.15

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	78997-40-7
NORMAN SUSDAT
FDA SRS	ZPO6B92P5Y

Resources

Reference

CAS NUMBER

78997-40-7

NORMAN SUSDAT

FDA SRS

ZPO6B92P5Y

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

PRISOTINOL

Structure

Physicochemical Descriptors

Cross References