EcoDrugPlus


Synonyms	CI-888 Pro-air Procaterol hydrochloride
Status
Molecule Category	Salt-form
UNII	4VD1BRT7T8
Parent Compound:	PROCATEROL

Synonyms

CI-888

Pro-air

Procaterol hydrochloride

Status

Molecule Category

Salt-form

UNII

4VD1BRT7T8

Parent Compound:

PROCATEROL


InChI Key	AEQDBKHAAWUCMT-UHFFFAOYSA-N
Smiles	CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChI	InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H

InChI Key

AEQDBKHAAWUCMT-UHFFFAOYSA-N

Smiles

CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl

InChI

InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H

Property Name	Value
Molecular Formula	C16H23ClN2O3
Molecular Weight	326.82
AlogP	2.04
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	85.35
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H23ClN2O3

Molecular Weight

326.82

AlogP

2.04

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

85.35

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
ChEBI	32056
ChEMBL	CHEMBL1322218
FDA SRS	4VD1BRT7T8
KEGG	C13235
PubChem	16219912
SureChEMBL	SCHEMBL124726

Resources

Reference

ChEBI

ChEMBL

FDA SRS

KEGG

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

PROCATEROL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References