EcoDrugPlus


Trade Names	GENESA
Synonyms	Arbutamine hcl Arbutamine hydrochloride GP-2-121-3 Genesa
Status
Molecule Category	Salt-form
UNII	K0NF2CPJ7F
EPA CompTox	DTXSID40154718

Trade Names

GENESA

Synonyms

Arbutamine hcl

Arbutamine hydrochloride

GP-2-121-3

Genesa

Status

Molecule Category

Salt-form

UNII

K0NF2CPJ7F

EPA CompTox

DTXSID40154718


InChI Key	ATBUNPBAFFCFKY-FERBBOLQSA-N
Smiles	Cl.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1
InChI	InChI=1S/C18H23NO4.ClH/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14;/h4-9,11,18-23H,1-3,10,12H2;1H/t18-;/m0./s1

InChI Key

ATBUNPBAFFCFKY-FERBBOLQSA-N

Smiles

Cl.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1

InChI

InChI=1S/C18H23NO4.ClH/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14;/h4-9,11,18-23H,1-3,10,12H2;1H/t18-;/m0./s1

Property Name	Value
Molecular Formula	C18H24ClNO4
Molecular Weight	353.85
AlogP	2.45
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	8.0
Polar Surface Area	92.95
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C18H24ClNO4

Molecular Weight

353.85

AlogP

2.45

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

8.0

Polar Surface Area

92.95

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

23.0

Resources	Reference
ChEMBL	CHEMBL1200385
FDA SRS	K0NF2CPJ7F
PubChem	166551
SureChEMBL	SCHEMBL40757

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

ARBUTAMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References