EcoDrugPlus


Synonyms	Aludrox sa Ambutonium bromide Gppe susp
Status
Molecule Category	Salt-form
UNII	9J8YA3ZT14

Synonyms

Aludrox sa

Ambutonium bromide

Gppe susp

Status

Molecule Category

Salt-form

UNII

9J8YA3ZT14


InChI Key	VTAGVKVPFBOVRM-UHFFFAOYSA-N
Smiles	CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-]
InChI	InChI=1S/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H

InChI Key

VTAGVKVPFBOVRM-UHFFFAOYSA-N

Smiles

CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-]

InChI

InChI=1S/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H

Property Name	Value
Molecular Formula	C20H27BrN2O
Molecular Weight	391.35
AlogP	2.94
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	43.09
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C20H27BrN2O

Molecular Weight

391.35

AlogP

2.94

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

43.09

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

23.0

Resources	Reference
ChEMBL	CHEMBL2105972
FDA SRS	9J8YA3ZT14
PubChem	8276
SureChEMBL	SCHEMBL249674

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

AMBUTONIUM BROMIDE

Structure

Physicochemical Descriptors

Cross References