EcoDrugPlus


Synonyms	ALT-711 Alagebrium chloride
Status
Molecule Category	Salt-form
UNII	79QS8K2877

Synonyms

ALT-711

Alagebrium chloride

Status

Molecule Category

Salt-form

UNII

79QS8K2877


InChI Key	MKOMESMZHZNBIZ-UHFFFAOYSA-M
Smiles	Cc1sc[n+](CC(=O)c2ccccc2)c1C.[Cl-]
InChI	InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1

InChI Key

MKOMESMZHZNBIZ-UHFFFAOYSA-M

Smiles

Cc1sc[n+](CC(=O)c2ccccc2)c1C.[Cl-]

InChI

InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C13H14ClNOS
Molecular Weight	267.78
AlogP	2.54
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	20.95
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H14ClNOS

Molecular Weight

267.78

AlogP

2.54

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

20.95

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

16.0

Resources	Reference
ChEMBL	CHEMBL2107309
FDA SRS	79QS8K2877
PubChem	216306
SureChEMBL	SCHEMBL33828

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

ALAGEBRIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References