EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E26GV7524F

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E26GV7524F


InChI Key	FDJAKSHVOONYHX-UHFFFAOYSA-N
Smiles	[H+].[Cl-].CC1Oc2ccccc2CC1N(C)C
InChI	InChI=1S/C12H17NO/c1-9-11(13(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11H,8H2,1-3H3

InChI Key

FDJAKSHVOONYHX-UHFFFAOYSA-N

Smiles

[H+].[Cl-].CC1Oc2ccccc2CC1N(C)C

InChI

InChI=1S/C12H17NO/c1-9-11(13(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11H,8H2,1-3H3

Property Name	Value
Molecular Formula	C12H17N1O1
Molecular Weight	191.13
AlogP	1.94
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	12.47
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H17N1O1

Molecular Weight

191.13

AlogP

1.94

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

12.47

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	23915-73-3
NORMAN SUSDAT
FDA SRS	E26GV7524F

Resources

Reference

CAS NUMBER

23915-73-3

NORMAN SUSDAT

FDA SRS

E26GV7524F

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...

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Last update: Monday, 3 November 2025

TREBENZOMINE

Structure

Physicochemical Descriptors

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