EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	8929NLK7WN
EPA CompTox	DTXSID1049017

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

8929NLK7WN

EPA CompTox

DTXSID1049017


InChI Key	XLAOKZDOZHZWBK-UHFFFAOYSA-N
Smiles	Cl.CC(N)CC1=CC2=C(OCO2)C=C1
InChI	InChI=1/C10H13NO2.ClH/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9;/h2-3,5,7H,4,6,11H2,1H3;1H

InChI Key

XLAOKZDOZHZWBK-UHFFFAOYSA-N

Smiles

Cl.CC(N)CC1=CC2=C(OCO2)C=C1

InChI

InChI=1/C10H13NO2.ClH/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9;/h2-3,5,7H,4,6,11H2,1H3;1H

Property Name	Value
Molecular Formula	C10H14ClNO2
Molecular Weight	215.07
AlogP	1.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	44.48
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H14ClNO2

Molecular Weight

215.07

AlogP

1.73

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

44.48

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6292-91-7
NORMAN SUSDAT
FDA SRS	8929NLK7WN

Resources

Reference

CAS NUMBER

6292-91-7

NORMAN SUSDAT

FDA SRS

8929NLK7WN

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

TENAMFETAMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References